#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:05:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180025 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/19/7031928.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7031928
loop_
_publ_author_name
'Albrecht, M.'
'Isaak, E.'
'Shigemitsu, H.'
'Moha, V.'
'Raabe, G.'
'Fröhlich, R'
_publ_section_title
;
 Terpenols as substituents for the diastereoselective formation of
 enantiomerically pure triple lithium-bridged helicate type-coordination
 compounds.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14636
_journal_page_last               14643
_journal_paper_doi               10.1039/c4dt01553c
_journal_volume                  43
_journal_year                    2014
_chemical_absolute_configuration ad
_chemical_formula_sum            'C102 H120 Li4 O24 Ti2'
_chemical_formula_weight         1853.54
_chemical_name_systematic
;
?
;
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   36.7980(4)
_cell_length_b                   36.7980(4)
_cell_length_c                   32.7961(5)
_cell_measurement_reflns_used    12466
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      4.08
_cell_volume                     38459.3(8)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SCHAKAL (Keller, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Nonius KappaCCD APEXII'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Montel mirror'
_diffrn_radiation_source         'rotating anode Nonius FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_av_sigmaI/netI    0.0612
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            47524
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.08
_exptl_absorpt_coefficient_mu    0.180
_exptl_absorpt_correction_T_max  0.9736
_exptl_absorpt_correction_T_min  0.9398
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    0.960
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             11760
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_platon_squeeze_details
;
;
_refine_diff_density_max         0.515
_refine_diff_density_min         -0.303
_refine_diff_density_rms         0.067
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.09(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1585
_refine_ls_number_reflns         25023
_refine_ls_number_restraints     1381
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.1756
_refine_ls_R_factor_gt           0.1281
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1575P)²+181.1819P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3106
_refine_ls_wR_factor_ref         0.3416
_reflns_number_gt                15631
_reflns_number_total             25023
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01553c1.cif
_cod_data_source_block           fro5717
_cod_depositor_comments
'Adding full bibliography for 7031927--7031928.cif.'
_cod_original_sg_symbol_H-M      R3
_cod_database_code               7031928
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Li1 Li 0.9981(4) 0.4634(4) 0.0149(5) 0.075(4) Uani 1 1 d .
Li2 Li 1.0076(5) 0.5540(5) 0.0652(5) 0.080(4) Uani 1 1 d .
Li3 Li 0.9613(5) 0.4573(5) 0.1194(5) 0.076(4) Uani 1 1 d .
Li4 Li 1.1429(8) 0.4814(5) -0.0113(8) 0.151(12) Uani 1 1 d .
Ti1 Ti 0.90966(5) 0.47259(6) 0.03932(6) 0.0813(5) Uani 1 1 d .
Ti2 Ti 1.06707(5) 0.50947(6) 0.09625(6) 0.0788(5) Uani 1 1 d .
O1A O 0.93760(16) 0.43792(18) 0.03198(18) 0.0688(15) Uani 1 1 d .
O2A O 0.8629(2) 0.4186(2) 0.0427(2) 0.095(2) Uani 1 1 d .
C1A C 0.9102(2) 0.3964(3) 0.0295(3) 0.064(2) Uani 1 1 d U
C2A C 0.8687(3) 0.3857(3) 0.0360(3) 0.082(3) Uani 1 1 d U
C3A C 0.8383(3) 0.3447(4) 0.0341(3) 0.093(3) Uani 1 1 d U
H3A H 0.8103 0.3380 0.0376 0.112 Uiso 1 1 calc R
C4A C 0.8455(4) 0.3138(4) 0.0276(4) 0.104(3) Uani 1 1 d U
H4A H 0.8230 0.2860 0.0276 0.125 Uiso 1 1 calc R
C5A C 0.8867(3) 0.3221(3) 0.0205(3) 0.094(3) Uani 1 1 d U
H5A H 0.8921 0.3001 0.0156 0.113 Uiso 1 1 calc R
C6A C 0.9204(3) 0.3652(3) 0.0210(3) 0.069(2) Uani 1 1 d U
C7A C 0.9624(3) 0.3736(3) 0.0108(3) 0.071(2) Uani 1 1 d U
O8A O 0.99404(19) 0.4088(2) 0.01140(19) 0.0786(17) Uani 1 1 d .
O9A O 0.9635(2) 0.3401(2) 0.0004(2) 0.094(2) Uani 1 1 d .
C10A C 1.0029(3) 0.3431(3) -0.0113(3) 0.083(3) Uani 1 1 d DU
H10A H 1.0198 0.3699 -0.0262 0.100 Uiso 1 1 calc R
C11A C 0.9923(3) 0.3073(3) -0.0406(2) 0.097(3) Uani 1 1 d DU
H11A H 0.9615 0.2887 -0.0398 0.116 Uiso 1 1 calc R
C12A C 1.0119(3) 0.2805(3) -0.0259(3) 0.098(3) Uani 1 1 d DU
H12A H 1.0061 0.2564 -0.0437 0.118 Uiso 1 1 calc R
C13A C 1.0556(3) 0.3050(3) -0.0106(3) 0.110(4) Uani 1 1 d DU
C14A C 1.0364(3) 0.3083(3) 0.0293(3) 0.117(4) Uani 1 1 d DU
H14A H 1.0503 0.3066 0.0545 0.141 Uiso 1 1 calc R
C15A C 1.0265(4) 0.3443(4) 0.0273(3) 0.121(4) Uani 1 1 d DU
H15A H 1.0096 0.3426 0.0511 0.145 Uiso 1 1 calc R
H15B H 1.0529 0.3712 0.0286 0.145 Uiso 1 1 calc R
C16A C 0.9988(4) 0.2696(4) 0.0170(3) 0.146(5) Uani 1 1 d DU
H16A H 0.9725 0.2690 0.0237 0.175 Uiso 1 1 calc R
H16B H 0.9982 0.2440 0.0263 0.175 Uiso 1 1 calc R
C17A C 1.0879(3) 0.3446(4) -0.0317(4) 0.128(4) Uani 1 1 d DU
H17A H 1.0907 0.3384 -0.0598 0.192 Uiso 1 1 calc R
H17B H 1.1147 0.3555 -0.0179 0.192 Uiso 1 1 calc R
H17C H 1.0790 0.3654 -0.0307 0.192 Uiso 1 1 calc R
C18A C 1.0752(4) 0.2761(4) -0.0044(5) 0.159(6) Uani 1 1 d DU
H18A H 1.0854 0.2721 -0.0303 0.238 Uiso 1 1 calc R
H18B H 1.0540 0.2491 0.0063 0.238 Uiso 1 1 calc R
H18C H 1.0984 0.2892 0.0147 0.238 Uiso 1 1 calc R
C19A C 1.0039(5) 0.3222(5) -0.0854(3) 0.148(5) Uani 1 1 d DU
H19A H 1.0015 0.3470 -0.0897 0.222 Uiso 1 1 calc R
H19B H 0.9850 0.3001 -0.1037 0.222 Uiso 1 1 calc R
H19C H 1.0325 0.3289 -0.0907 0.222 Uiso 1 1 calc R
O1B O 0.9651(2) 0.5230(2) 0.0234(2) 0.0836(17) Uani 1 1 d .
O2B O 0.8986(2) 0.4792(3) -0.0173(2) 0.102(2) Uani 1 1 d .
C1B C 0.9632(4) 0.5407(4) -0.0115(3) 0.085(3) Uani 1 1 d U
C2B C 0.9265(3) 0.5167(4) -0.0334(3) 0.085(3) Uani 1 1 d U
C3B C 0.9196(5) 0.5296(5) -0.0713(4) 0.120(4) Uani 1 1 d U
H3B H 0.8952 0.5132 -0.0867 0.144 Uiso 1 1 calc R
C4B C 0.9516(5) 0.5683(5) -0.0846(5) 0.121(4) Uani 1 1 d U
H4B H 0.9474 0.5788 -0.1091 0.146 Uiso 1 1 calc R
C5B C 0.9867(4) 0.5910(4) -0.0659(4) 0.112(4) Uani 1 1 d U
H5B H 1.0070 0.6162 -0.0780 0.134 Uiso 1 1 calc R
C6B C 0.9957(4) 0.5786(3) -0.0268(3) 0.088(3) Uani 1 1 d U
C7B C 1.0335(4) 0.6033(3) -0.0050(4) 0.083(3) Uani 1 1 d U
O8B O 1.0427(2) 0.5973(2) 0.0280(2) 0.0906(19) Uani 1 1 d .
O9B O 1.0604(3) 0.6365(3) -0.0285(3) 0.121(3) Uani 1 1 d .
C10B C 1.1028(4) 0.6666(3) -0.0103(3) 0.108(4) Uani 1 1 d DU
H10B H 1.1122 0.6514 0.0078 0.130 Uiso 1 1 calc R
C11B C 1.0975(4) 0.6988(3) 0.0140(3) 0.130(4) Uani 1 1 d DU
H11B H 1.0682 0.6926 0.0105 0.156 Uiso 1 1 calc R
C12B C 1.1273(4) 0.7442(3) -0.0030(3) 0.133(5) Uani 1 1 d DU
H12B H 1.1264 0.7672 0.0117 0.160 Uiso 1 1 calc R
C13B C 1.1698(3) 0.7519(3) -0.0135(4) 0.159(6) Uani 1 1 d DU
C14B C 1.1506(4) 0.7300(3) -0.0535(3) 0.138(5) Uani 1 1 d DU
H14B H 1.1685 0.7420 -0.0780 0.165 Uiso 1 1 calc R
C15B C 1.1306(4) 0.6823(3) -0.0480(4) 0.133(5) Uani 1 1 d DU
H15C H 1.1138 0.6681 -0.0722 0.160 Uiso 1 1 calc R
H15D H 1.1529 0.6752 -0.0458 0.160 Uiso 1 1 calc R
C16B C 1.1188(5) 0.7418(5) -0.0473(4) 0.167(6) Uani 1 1 d DU
H16C H 1.0904 0.7199 -0.0549 0.201 Uiso 1 1 calc R
H16D H 1.1258 0.7688 -0.0596 0.201 Uiso 1 1 calc R
C17B C 1.1924(5) 0.7359(6) 0.0131(5) 0.202(8) Uani 1 1 d DU
H17D H 1.1749 0.7058 0.0166 0.302 Uiso 1 1 calc R
H17E H 1.1981 0.7495 0.0395 0.302 Uiso 1 1 calc R
H17F H 1.2186 0.7421 0.0003 0.302 Uiso 1 1 calc R
C18B C 1.1999(5) 0.8000(4) -0.0209(6) 0.210(9) Uani 1 1 d DU
H18D H 1.2056 0.8149 0.0048 0.315 Uiso 1 1 calc R
H18E H 1.1867 0.8104 -0.0395 0.315 Uiso 1 1 calc R
H18F H 1.2260 0.8044 -0.0327 0.315 Uiso 1 1 calc R
C19B C 1.1050(5) 0.6961(5) 0.0601(3) 0.158(6) Uani 1 1 d DU
H19D H 1.1137 0.6754 0.0644 0.238 Uiso 1 1 calc R
H19E H 1.0792 0.6878 0.0750 0.238 Uiso 1 1 calc R
H19F H 1.1268 0.7232 0.0698 0.238 Uiso 1 1 calc R
O1C O 0.92993(18) 0.48263(19) 0.0965(2) 0.0747(16) Uani 1 1 d .
O2C O 0.8800(2) 0.4990(2) 0.0606(2) 0.094(2) Uani 1 1 d .
C1C C 0.9115(3) 0.4979(3) 0.1209(3) 0.075(2) Uani 1 1 d U
C2C C 0.8833(3) 0.5069(3) 0.1018(4) 0.089(3) Uani 1 1 d U
C3C C 0.8622(4) 0.5226(4) 0.1204(4) 0.103(3) Uani 1 1 d U
H3C H 0.8435 0.5278 0.1056 0.124 Uiso 1 1 calc R
C4C C 0.8677(4) 0.5309(4) 0.1600(4) 0.107(4) Uani 1 1 d U
H4C H 0.8542 0.5437 0.1729 0.129 Uiso 1 1 calc R
C5C C 0.8929(4) 0.5207(4) 0.1821(4) 0.110(4) Uani 1 1 d U
H5C H 0.8951 0.5249 0.2104 0.132 Uiso 1 1 calc R
C6C C 0.9165(3) 0.5036(3) 0.1624(3) 0.082(3) Uani 1 1 d U
C7C C 0.9435(3) 0.4932(3) 0.1857(4) 0.085(3) Uani 1 1 d U
O8C O 0.9636(2) 0.4793(2) 0.1720(2) 0.0906(19) Uani 1 1 d .
O9C O 0.9445(3) 0.5035(4) 0.2255(2) 0.133(3) Uani 1 1 d .
C10C C 0.9795(5) 0.5024(4) 0.2503(3) 0.139(5) Uani 1 1 d DU
H10C H 1.0052 0.5124 0.2336 0.167 Uiso 1 1 calc R
C11C C 0.9607(4) 0.4563(4) 0.2603(4) 0.154(6) Uani 1 1 d DU
H11C H 0.9311 0.4422 0.2513 0.184 Uiso 1 1 calc R
C12C C 0.9603(5) 0.4500(4) 0.3075(4) 0.255(12) Uani 1 1 d DU
H12C H 0.9496 0.4208 0.3166 0.305 Uiso 1 1 calc R
C13C C 0.9978(4) 0.4826(4) 0.3298(3) 0.133(5) Uani 1 1 d DU
C14C C 0.9775(5) 0.5097(4) 0.3272(3) 0.163(6) Uani 1 1 d DU
H14C H 0.9808 0.5271 0.3514 0.196 Uiso 1 1 calc R
C15C C 0.9874(6) 0.5325(4) 0.2855(4) 0.177(7) Uani 1 1 d DU
H15E H 0.9699 0.5454 0.2820 0.213 Uiso 1 1 calc R
H15F H 1.0169 0.5549 0.2851 0.213 Uiso 1 1 calc R
C16C C 0.9377(5) 0.4708(5) 0.3237(5) 0.204(8) Uani 1 1 d DU
H16E H 0.9182 0.4721 0.3041 0.245 Uiso 1 1 calc R
H16F H 0.9238 0.4595 0.3499 0.245 Uiso 1 1 calc R
C17C C 1.0081(7) 0.4731(7) 0.3719(5) 0.221(9) Uani 1 1 d DU
H17G H 1.0261 0.4609 0.3693 0.332 Uiso 1 1 calc R
H17H H 0.9824 0.4534 0.3857 0.332 Uiso 1 1 calc R
H17I H 1.0225 0.4988 0.3875 0.332 Uiso 1 1 calc R
C18C C 1.0384(5) 0.5000(7) 0.3035(7) 0.271(13) Uani 1 1 d DU
H18G H 1.0510 0.4826 0.3075 0.407 Uiso 1 1 calc R
H18H H 1.0581 0.5285 0.3118 0.407 Uiso 1 1 calc R
H18I H 1.0314 0.4996 0.2750 0.407 Uiso 1 1 calc R
C19C C 0.9822(7) 0.4359(6) 0.2362(6) 0.217(9) Uani 1 1 d DU
H19G H 0.9787 0.4383 0.2072 0.326 Uiso 1 1 calc R
H19H H 0.9696 0.4066 0.2437 0.326 Uiso 1 1 calc R
H19I H 1.0119 0.4503 0.2427 0.326 Uiso 1 1 calc R
O1D O 1.04979(18) 0.50951(18) 0.03774(18) 0.0736(16) Uani 1 1 d .
O2D O 1.1184(2) 0.5524(2) 0.0739(2) 0.102(2) Uani 1 1 d .
C1D C 1.0807(3) 0.5375(3) 0.0147(3) 0.078(3) Uani 1 1 d U
C2D C 1.1197(3) 0.5614(3) 0.0349(3) 0.083(3) Uani 1 1 d U
C3D C 1.1543(4) 0.5900(4) 0.0146(4) 0.106(3) Uani 1 1 d U
H3D H 1.1801 0.6053 0.0282 0.127 Uiso 1 1 calc R
C4D C 1.1508(4) 0.5963(4) -0.0270(4) 0.108(4) Uani 1 1 d U
H4D H 1.1747 0.6168 -0.0408 0.129 Uiso 1 1 calc R
C5D C 1.1162(4) 0.5752(4) -0.0475(4) 0.102(3) Uani 1 1 d U
H5D H 1.1156 0.5809 -0.0754 0.122 Uiso 1 1 calc R
C6D C 1.0783(3) 0.5429(3) -0.0279(3) 0.085(3) Uani 1 1 d U
C7D C 1.0390(3) 0.5158(3) -0.0502(3) 0.075(2) Uani 1 1 d U
O8D O 1.00848(19) 0.48652(19) -0.0378(2) 0.0784(17) Uani 1 1 d .
O9D O 1.0424(3) 0.5289(2) -0.0901(2) 0.116(3) Uani 1 1 d .
C10D C 1.0094(4) 0.5067(3) -0.1177(3) 0.106(3) Uani 1 1 d DU
H10D H 0.9832 0.4964 -0.1019 0.127 Uiso 1 1 calc R
C11D C 1.0098(4) 0.4680(3) -0.1328(3) 0.140(5) Uani 1 1 d DU
H11D H 1.0344 0.4679 -0.1207 0.168 Uiso 1 1 calc R
C12D C 1.0147(4) 0.4694(4) -0.1803(3) 0.148(5) Uani 1 1 d DU
H12D H 1.0186 0.4468 -0.1922 0.178 Uiso 1 1 calc R
C13D C 0.9849(4) 0.4783(4) -0.2023(3) 0.136(5) Uani 1 1 d DU
C14D C 1.0150(4) 0.5242(3) -0.1937(3) 0.123(4) Uani 1 1 d DU
H14D H 1.0185 0.5442 -0.2156 0.148 Uiso 1 1 calc R
C15D C 1.0087(5) 0.5361(4) -0.1501(3) 0.146(5) Uani 1 1 d DU
H15G H 1.0310 0.5649 -0.1441 0.176 Uiso 1 1 calc R
H15H H 0.9818 0.5355 -0.1487 0.176 Uiso 1 1 calc R
C16D C 1.0476(4) 0.5126(5) -0.1907(5) 0.208(9) Uani 1 1 d DU
H16G H 1.0678 0.5270 -0.1687 0.249 Uiso 1 1 calc R
H16H H 1.0619 0.5148 -0.2165 0.249 Uiso 1 1 calc R
C17D C 0.9398(4) 0.4582(7) -0.1880(6) 0.247(12) Uani 1 1 d DU
H17J H 0.9346 0.4371 -0.1676 0.371 Uiso 1 1 calc R
H17K H 0.9211 0.4452 -0.2110 0.371 Uiso 1 1 calc R
H17L H 0.9347 0.4795 -0.1763 0.371 Uiso 1 1 calc R
C18D C 0.9844(6) 0.4694(6) -0.2490(4) 0.196(8) Uani 1 1 d DU
H18J H 1.0058 0.4944 -0.2626 0.295 Uiso 1 1 calc R
H18K H 0.9571 0.4619 -0.2602 0.295 Uiso 1 1 calc R
H18L H 0.9898 0.4465 -0.2532 0.295 Uiso 1 1 calc R
C19D C 0.9696(6) 0.4274(5) -0.1189(6) 0.216(9) Uani 1 1 d DU
H19J H 0.9554 0.4344 -0.0980 0.324 Uiso 1 1 calc R
H19K H 0.9774 0.4077 -0.1079 0.324 Uiso 1 1 calc R
H19L H 0.9511 0.4148 -0.1420 0.324 Uiso 1 1 calc R
O1E O 1.0363(2) 0.54019(18) 0.10906(18) 0.0751(16) Uani 1 1 d .
O2E O 1.0856(2) 0.5267(3) 0.1502(2) 0.094(2) Uani 1 1 d .
C1E C 1.0476(3) 0.5601(3) 0.1447(3) 0.079(3) Uani 1 1 d U
C2E C 1.0758(4) 0.5519(4) 0.1661(3) 0.094(3) Uani 1 1 d U
C3E C 1.0918(5) 0.5738(5) 0.2040(4) 0.125(4) Uani 1 1 d U
H3E H 1.1115 0.5705 0.2193 0.150 Uiso 1 1 calc R
C4E C 1.0770(5) 0.6003(5) 0.2175(5) 0.139(5) Uani 1 1 d U
H4E H 1.0868 0.6136 0.2429 0.167 Uiso 1 1 calc R
C5E C 1.0517(5) 0.6075(4) 0.1983(5) 0.122(4) Uani 1 1 d U
H5E H 1.0444 0.6264 0.2098 0.146 Uiso 1 1 calc R
C6E C 1.0333(4) 0.5887(3) 0.1602(3) 0.094(3) Uani 1 1 d U
C7E C 1.0050(4) 0.5976(4) 0.1359(4) 0.095(3) Uani 1 1 d U
O8E O 0.9918(2) 0.5845(2) 0.1031(2) 0.0915(19) Uani 1 1 d .
O9E O 0.9946(4) 0.6203(3) 0.1595(3) 0.133(3) Uani 1 1 d .
C10E C 0.9653(4) 0.6323(3) 0.1407(3) 0.124(4) Uani 1 1 d DU
H10E H 0.9432 0.6080 0.1257 0.149 Uiso 1 1 calc R
C11E C 0.9892(4) 0.6683(3) 0.1111(3) 0.114(4) Uani 1 1 d DU
H11E H 1.0187 0.6746 0.1115 0.137 Uiso 1 1 calc R
C12E C 0.9897(4) 0.7089(3) 0.1264(4) 0.145(5) Uani 1 1 d DU
H12E H 1.0062 0.7343 0.1096 0.174 Uiso 1 1 calc R
C13E C 0.9482(4) 0.7018(4) 0.1406(4) 0.179(7) Uani 1 1 d DU
C14E C 0.9575(5) 0.6872(4) 0.1806(4) 0.146(5) Uani 1 1 d DU
H14E H 0.9483 0.6954 0.2056 0.176 Uiso 1 1 calc R
C15E C 0.9457(5) 0.6409(4) 0.1778(4) 0.169(6) Uani 1 1 d DU
H15I H 0.9552 0.6332 0.2025 0.203 Uiso 1 1 calc R
H15J H 0.9151 0.6233 0.1762 0.203 Uiso 1 1 calc R
C16E C 1.0017(5) 0.7130(5) 0.1700(4) 0.202(8) Uani 1 1 d DU
H16I H 1.0186 0.7001 0.1769 0.242 Uiso 1 1 calc R
H16J H 1.0147 0.7418 0.1804 0.242 Uiso 1 1 calc R
C17E C 0.9083(5) 0.6726(6) 0.1180(6) 0.240(11) Uani 1 1 d DU
H17M H 0.9143 0.6732 0.0891 0.361 Uiso 1 1 calc R
H17N H 0.8879 0.6817 0.1220 0.361 Uiso 1 1 calc R
H17O H 0.8970 0.6443 0.1283 0.361 Uiso 1 1 calc R
C18E C 0.9495(7) 0.7444(5) 0.1479(7) 0.253(12) Uani 1 1 d DU
H18M H 0.9418 0.7530 0.1229 0.380 Uiso 1 1 calc R
H18N H 0.9777 0.7655 0.1559 0.380 Uiso 1 1 calc R
H18O H 0.9299 0.7409 0.1693 0.380 Uiso 1 1 calc R
C19E C 0.9740(6) 0.6576(5) 0.0669(4) 0.168(6) Uani 1 1 d DU
H19M H 0.9515 0.6286 0.0653 0.252 Uiso 1 1 calc R
H19N H 0.9971 0.6614 0.0497 0.252 Uiso 1 1 calc R
H19O H 0.9638 0.6759 0.0576 0.252 Uiso 1 1 calc R
O1F O 1.01210(16) 0.45543(17) 0.10318(18) 0.0679(15) Uani 1 1 d .
O2F O 1.0864(2) 0.4692(3) 0.0977(2) 0.095(2) Uani 1 1 d .
C1F C 1.0163(3) 0.4227(3) 0.1123(3) 0.074(2) Uani 1 1 d U
C2F C 1.0592(3) 0.4308(4) 0.1103(3) 0.083(3) Uani 1 1 d U
C3F C 1.0698(4) 0.4017(4) 0.1209(3) 0.098(3) Uani 1 1 d U
H3F H 1.0979 0.4080 0.1203 0.118 Uiso 1 1 calc R
C4F C 1.0393(5) 0.3638(5) 0.1321(4) 0.115(4) Uani 1 1 d U
H4F H 1.0465 0.3433 0.1387 0.138 Uiso 1 1 calc R
C5F C 0.9963(4) 0.3529(4) 0.1346(3) 0.105(3) Uani 1 1 d U
H5F H 0.9757 0.3259 0.1429 0.126 Uiso 1 1 calc R
C6F C 0.9854(4) 0.3834(3) 0.1243(3) 0.082(3) Uani 1 1 d U
C7F C 0.9413(3) 0.3729(3) 0.1263(3) 0.081(3) Uani 1 1 d U
O8F O 0.9292(2) 0.3980(2) 0.1246(2) 0.096(2) Uani 1 1 d .
O9F O 0.9154(3) 0.3322(2) 0.1328(2) 0.114(3) Uani 1 1 d .
C10F C 0.8701(4) 0.3174(3) 0.1386(3) 0.114(4) Uani 1 1 d DU
H10F H 0.8611 0.3328 0.1203 0.136 Uiso 1 1 calc R
C11F C 0.8656(4) 0.3265(3) 0.1830(3) 0.138(5) Uani 1 1 d DU
H11F H 0.8943 0.3420 0.1945 0.166 Uiso 1 1 calc R
C12F C 0.8415(4) 0.2846(3) 0.2078(3) 0.149(5) Uani 1 1 d DU
H12F H 0.8384 0.2880 0.2373 0.179 Uiso 1 1 calc R
C13F C 0.8036(4) 0.2511(4) 0.1875(4) 0.158(6) Uani 1 1 d DU
C14F C 0.8329(4) 0.2413(3) 0.1633(3) 0.159(6) Uani 1 1 d DU
H14F H 0.8229 0.2113 0.1578 0.190 Uiso 1 1 calc R
C15F C 0.8491(4) 0.2714(3) 0.1262(3) 0.133(5) Uani 1 1 d DU
H15K H 0.8693 0.2666 0.1110 0.160 Uiso 1 1 calc R
H15L H 0.8255 0.2649 0.1080 0.160 Uiso 1 1 calc R
C16F C 0.8621(4) 0.2603(5) 0.1974(4) 0.169(6) Uani 1 1 d DU
H16K H 0.8914 0.2776 0.1890 0.203 Uiso 1 1 calc R
H16L H 0.8592 0.2401 0.2185 0.203 Uiso 1 1 calc R
C17F C 0.7742(5) 0.2613(5) 0.1644(5) 0.179(7) Uani 1 1 d DU
H17P H 0.7863 0.2915 0.1631 0.268 Uiso 1 1 calc R
H17Q H 0.7475 0.2490 0.1784 0.268 Uiso 1 1 calc R
H17R H 0.7701 0.2500 0.1370 0.268 Uiso 1 1 calc R
C18F C 0.7772(5) 0.2134(5) 0.2169(6) 0.232(10) Uani 1 1 d DU
H18P H 0.7521 0.2138 0.2252 0.348 Uiso 1 1 calc R
H18Q H 0.7939 0.2159 0.2408 0.348 Uiso 1 1 calc R
H18R H 0.7694 0.1873 0.2030 0.348 Uiso 1 1 calc R
C19F C 0.8467(8) 0.3554(6) 0.1875(7) 0.248(11) Uani 1 1 d DU
H19P H 0.8457 0.3666 0.1609 0.372 Uiso 1 1 calc R
H19Q H 0.8640 0.3784 0.2058 0.372 Uiso 1 1 calc R
H19R H 0.8185 0.3395 0.1985 0.372 Uiso 1 1 calc R
Li5 Li 0.7295(5) 0.3745(5) 0.4165(5) 0.081(4) Uani 1 1 d .
Li6 Li 1.3333 0.6667 0.0810(18) 0.139(16) Uani 1 3 d S
Ti3 Ti 0.6667 0.3333 0.50036(9) 0.0882(9) Uani 1 3 d S
Ti4 Ti 0.6667 0.3333 0.32991(10) 0.0951(10) Uani 1 3 d S
O1G O 0.7019(2) 0.3826(2) 0.4621(2) 0.0898(19) Uani 1 1 d .
O2G O 0.6704(3) 0.3786(3) 0.53187(19) 0.097(2) Uani 1 1 d .
C1G C 0.7144(3) 0.4199(3) 0.4794(3) 0.079(3) Uani 1 1 d U
C2G C 0.6969(3) 0.4172(4) 0.5190(3) 0.082(3) Uani 1 1 d U
C3G C 0.7060(4) 0.4518(4) 0.5397(4) 0.106(3) Uani 1 1 d U
H3G H 0.6942 0.4497 0.5656 0.127 Uiso 1 1 calc R
C4G C 0.7339(4) 0.4924(4) 0.5227(4) 0.117(4) Uani 1 1 d U
H4G H 0.7406 0.5170 0.5372 0.140 Uiso 1 1 calc R
C5G C 0.7498(4) 0.4942(4) 0.4857(4) 0.102(3) Uani 1 1 d U
H5G H 0.7686 0.5209 0.4751 0.123 Uiso 1 1 calc R
C6G C 0.7405(3) 0.4583(3) 0.4610(3) 0.085(3) Uani 1 1 d U
C7G C 0.7591(3) 0.4624(3) 0.4227(3) 0.078(3) Uani 1 1 d U
O8G O 0.7567(2) 0.4339(2) 0.4019(2) 0.093(2) Uani 1 1 d .
O9G O 0.7802(3) 0.5014(2) 0.4089(3) 0.110(2) Uani 1 1 d .
C10G C 0.8040(3) 0.5105(3) 0.3694(3) 0.092(3) Uani 1 1 d DU
H10G H 0.7888 0.4861 0.3511 0.110 Uiso 1 1 calc R
C11G C 0.8467(3) 0.5158(3) 0.3792(3) 0.116(4) Uani 1 1 d DU
H11G H 0.8502 0.5184 0.4092 0.139 Uiso 1 1 calc R
C12G C 0.8822(3) 0.5576(3) 0.3601(3) 0.113(4) Uani 1 1 d DU
H12G H 0.9111 0.5629 0.3638 0.136 Uiso 1 1 calc R
C13G C 0.8719(3) 0.5658(3) 0.3184(3) 0.109(4) Uani 1 1 d DU
C14G C 0.8476(3) 0.5837(3) 0.3397(3) 0.123(4) Uani 1 1 d DU
H14G H 0.8492 0.6089 0.3270 0.147 Uiso 1 1 calc R
C15G C 0.8032(3) 0.5481(3) 0.3507(4) 0.116(4) Uani 1 1 d DU
H15M H 0.7904 0.5587 0.3701 0.139 Uiso 1 1 calc R
H15N H 0.7858 0.5390 0.3261 0.139 Uiso 1 1 calc R
C16G C 0.8745(4) 0.5913(4) 0.3751(4) 0.153(6) Uani 1 1 d DU
H16M H 0.8597 0.5849 0.4012 0.184 Uiso 1 1 calc R
H16N H 0.8997 0.6192 0.3754 0.184 Uiso 1 1 calc R
C17G C 0.8485(5) 0.5316(4) 0.2872(4) 0.151(5) Uani 1 1 d DU
H17S H 0.8478 0.5442 0.2614 0.226 Uiso 1 1 calc R
H17T H 0.8200 0.5132 0.2965 0.226 Uiso 1 1 calc R
H17U H 0.8626 0.5156 0.2835 0.226 Uiso 1 1 calc R
C18G C 0.9118(4) 0.6010(4) 0.2969(5) 0.170(6) Uani 1 1 d DU
H18S H 0.9035 0.6108 0.2731 0.255 Uiso 1 1 calc R
H18T H 0.9297 0.5901 0.2887 0.255 Uiso 1 1 calc R
H18U H 0.9269 0.6243 0.3157 0.255 Uiso 1 1 calc R
C19G C 0.8508(4) 0.4777(4) 0.3661(5) 0.139(5) Uani 1 1 d DU
H19S H 0.8802 0.4862 0.3631 0.208 Uiso 1 1 calc R
H19T H 0.8365 0.4669 0.3403 0.208 Uiso 1 1 calc R
H19U H 0.8382 0.4559 0.3868 0.208 Uiso 1 1 calc R
O1H O 0.7128(2) 0.3377(2) 0.3679(2) 0.091(2) Uani 1 1 d .
O2H O 0.6876(3) 0.3047(3) 0.2994(2) 0.117(3) Uani 1 1 d .
C1H C 0.7371(3) 0.3249(3) 0.3506(3) 0.084(3) Uani 1 1 d U
C2H C 0.7231(4) 0.3070(4) 0.3129(4) 0.105(3) Uani 1 1 d U
C3H C 0.7453(5) 0.2925(4) 0.2898(4) 0.118(4) Uani 1 1 d U
H3H H 0.7353 0.2798 0.2642 0.142 Uiso 1 1 calc R
C4H C 0.7808(5) 0.2973(5) 0.3049(5) 0.132(5) Uani 1 1 d U
H4H H 0.7963 0.2879 0.2899 0.158 Uiso 1 1 calc R
C5H C 0.7958(4) 0.3163(4) 0.3432(4) 0.110(4) Uani 1 1 d U
H5H H 0.8215 0.3201 0.3527 0.132 Uiso 1 1 calc R
C6H C 0.7744(4) 0.3293(3) 0.3665(4) 0.089(3) Uani 1 1 d U
C7H C 0.7900(4) 0.3483(4) 0.4056(4) 0.102(3) Uani 1 1 d U
O8H O 0.7738(2) 0.3641(2) 0.4275(2) 0.093(2) Uani 1 1 d .
O9H O 0.8225(4) 0.3444(4) 0.4189(3) 0.154(4) Uani 1 1 d .
C10H C 0.8377(5) 0.3571(5) 0.4605(5) 0.128(4) Uani 1 1 d U
H10H H 0.8130 0.3478 0.4785 0.154 Uiso 1 1 calc R
C11H C 0.8608(5) 0.4012(6) 0.4615(6) 0.146(5) Uani 1 1 d U
H11H H 0.8571 0.4108 0.4344 0.175 Uiso 1 1 calc R
C12H C 0.9108(7) 0.4216(8) 0.4677(7) 0.182(7) Uani 1 1 d U
H12H H 0.9294 0.4523 0.4650 0.218 Uiso 1 1 calc R
C13H C 0.9182(7) 0.3988(8) 0.5016(8) 0.184(7) Uani 1 1 d U
C14H C 0.9085(7) 0.3644(7) 0.4737(7) 0.172(7) Uani 1 1 d U
H14H H 0.9267 0.3517 0.4755 0.207 Uiso 1 1 calc R
C15H C 0.8587(6) 0.3320(7) 0.4712(7) 0.183(7) Uani 1 1 d U
H15O H 0.8526 0.3106 0.4504 0.220 Uiso 1 1 calc R
H15P H 0.8483 0.3179 0.4975 0.220 Uiso 1 1 calc R
C16H C 0.9167(9) 0.3929(9) 0.4400(9) 0.226(10) Uani 1 1 d U
H16O H 0.8958 0.3810 0.4182 0.272 Uiso 1 1 calc R
H16P H 0.9452 0.4050 0.4290 0.272 Uiso 1 1 calc R
C17H C 0.9005(9) 0.3850(9) 0.5404(9) 0.240(11) Uani 1 1 d U
H17V H 0.9226 0.3949 0.5606 0.359 Uiso 1 1 calc R
H17W H 0.8845 0.3546 0.5407 0.359 Uiso 1 1 calc R
H17X H 0.8820 0.3960 0.5465 0.359 Uiso 1 1 calc R
C18H C 0.9656(13) 0.4237(13) 0.5189(12) 0.322(17) Uani 1 1 d U
H18V H 0.9787 0.4530 0.5110 0.482 Uiso 1 1 calc R
H18W H 0.9815 0.4115 0.5076 0.482 Uiso 1 1 calc R
H18X H 0.9651 0.4215 0.5484 0.482 Uiso 1 1 calc R
C19H C 0.8460(7) 0.4209(8) 0.4917(7) 0.207(9) Uani 1 1 d U
H19V H 0.8197 0.3996 0.5034 0.311 Uiso 1 1 calc R
H19W H 0.8419 0.4421 0.4784 0.311 Uiso 1 1 calc R
H19X H 0.8668 0.4338 0.5131 0.311 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O8D Li1 O8A 107.9(8) . .
O8D Li1 O1D 94.0(7) . .
O8A Li1 O1D 117.3(8) . .
O8D Li1 O1A 113.1(8) . .
O8A Li1 O1A 92.2(6) . .
O1D Li1 O1A 131.7(8) . .
O8D Li1 C7D 19.5(3) . .
O8A Li1 C7D 114.2(7) . .
O1D Li1 C7D 74.7(5) . .
O1A Li1 C7D 129.0(8) . .
O8B Li2 O8E 101.5(8) . .
O8B Li2 O1B 92.8(7) . .
O8E Li2 O1B 113.7(9) . .
O8B Li2 O1E 116.8(9) . .
O8E Li2 O1E 92.0(7) . .
O1B Li2 O1E 136.5(9) . .
O8B Li2 C7B 19.8(4) . .
O8E Li2 C7B 104.8(7) . .
O1B Li2 C7B 73.4(6) . .
O1E Li2 C7B 135.1(8) . .
O8B Li2 Ti1 123.0(7) . .
O8E Li2 Ti1 100.1(6) . .
O1B Li2 Ti1 30.6(3) . .
O1E Li2 Ti1 114.4(7) . .
C7B Li2 Ti1 103.3(5) . .
O8C Li3 O8F 106.3(9) . .
O8C Li3 O1C 93.3(7) . .
O8F Li3 O1C 113.9(8) . .
O8C Li3 O1F 114.9(8) . .
O8F Li3 O1F 92.3(7) . .
O1C Li3 O1F 134.8(9) . .
O8C Li3 C7C 19.1(3) . .
O8F Li3 C7C 108.5(7) . .
O1C Li3 C7C 75.0(5) . .
O1F Li3 C7C 132.6(8) . .
O8C Li3 Ti1 122.4(6) . .
O8F Li3 Ti1 100.3(6) . .
O1C Li3 Ti1 29.2(3) . .
O1F Li3 Ti1 114.0(7) . .
C7C Li3 Ti1 103.8(5) . .
O8C Li3 Ti2 99.5(6) . .
O8F Li3 Ti2 122.6(6) . .
O1C Li3 Ti2 114.7(7) . .
O1F Li3 Ti2 30.5(3) . .
C7C Li3 Ti2 112.0(5) . .
Ti1 Li3 Ti2 107.5(4) . .
O2A Ti1 O2C 93.6(3) . .
O2A Ti1 O2B 92.9(4) . .
O2C Ti1 O2B 94.4(3) . .
O2A Ti1 O1C 101.7(3) . .
O2C Ti1 O1C 79.5(3) . .
O2B Ti1 O1C 164.5(3) . .
O2A Ti1 O1A 79.9(3) . .
O2C Ti1 O1A 164.6(3) . .
O2B Ti1 O1A 99.8(3) . .
O1C Ti1 O1A 88.1(2) . .
O2A Ti1 O1B 163.6(3) . .
O2C Ti1 O1B 101.5(3) . .
O2B Ti1 O1B 79.4(3) . .
O1C Ti1 O1B 87.7(3) . .
O1A Ti1 O1B 87.1(2) . .
O2A Ti1 Li3 94.1(4) . .
O2C Ti1 Li3 107.7(3) . .
O2B Ti1 Li3 156.3(3) . .
O1C Ti1 Li3 28.8(3) . .
O1A Ti1 Li3 59.4(3) . .
O1B Ti1 Li3 87.7(3) . .
O2A Ti1 Li2 156.2(4) . .
O2C Ti1 Li2 94.7(4) . .
O2B Ti1 Li2 108.6(4) . .
O1C Ti1 Li2 58.2(3) . .
O1A Ti1 Li2 86.4(3) . .
O1B Ti1 Li2 29.5(3) . .
Li3 Ti1 Li2 62.1(4) . .
O2E Ti2 O2D 92.3(3) . .
O2E Ti2 O2F 91.4(3) . .
O2D Ti2 O2F 93.1(4) . .
O2E Ti2 O1E 79.9(3) . .
O2D Ti2 O1E 102.6(3) . .
O2F Ti2 O1E 162.3(3) . .
O2E Ti2 O1F 104.0(3) . .
O2D Ti2 O1F 162.1(3) . .
O2F Ti2 O1F 79.3(3) . .
O1E Ti2 O1F 87.8(2) . .
O2E Ti2 O1D 161.8(3) . .
O2D Ti2 O1D 79.4(3) . .
O2F Ti2 O1D 105.0(3) . .
O1E Ti2 O1D 86.1(3) . .
O1F Ti2 O1D 87.0(2) . .
O2E Ti2 C2E 24.8(3) . .
O2D Ti2 C2E 93.7(3) . .
O2F Ti2 C2E 116.0(3) . .
O1E Ti2 C2E 55.5(3) . .
O1F Ti2 C2E 104.2(3) . .
O1D Ti2 C2E 138.7(3) . .
O2E Ti2 Li3 95.6(3) . .
O2D Ti2 Li3 157.0(4) . .
O2F Ti2 Li3 108.1(3) . .
O1E Ti2 Li3 58.0(3) . .
O1F Ti2 Li3 29.8(3) . .
O1D Ti2 Li3 86.7(3) . .
C2E Ti2 Li3 84.8(4) . .
C1A O1A Ti1 113.3(5) . .
C1A O1A Li1 122.4(6) . .
Ti1 O1A Li1 122.3(5) . .
C2A O2A Ti1 118.1(6) . .
O1A C1A C2A 113.8(8) . .
O1A C1A C6A 125.8(7) . .
C2A C1A C6A 120.4(8) . .
O2A C2A C3A 126.5(9) . .
O2A C2A C1A 114.6(8) . .
C3A C2A C1A 118.9(10) . .
C4A C3A C2A 124.3(11) . .
C4A C3A H3A 117.8 . .
C2A C3A H3A 117.8 . .
C3A C4A C5A 120.2(11) . .
C3A C4A H4A 119.9 . .
C5A C4A H4A 119.9 . .
C4A C5A C6A 118.3(10) . .
C4A C5A H5A 120.9 . .
C6A C5A H5A 120.9 . .
C1A C6A C5A 117.9(9) . .
C1A C6A C7A 124.3(8) . .
C5A C6A C7A 117.8(9) . .
O8A C7A O9A 122.6(8) . .
O8A C7A C6A 124.2(9) . .
O9A C7A C6A 113.2(8) . .
C7A O8A Li1 129.1(7) . .
C7A O9A C10A 120.1(7) . .
O9A C10A C11A 106.8(7) . .
O9A C10A C15A 108.3(8) . .
C11A C10A C15A 116.5(6) . .
O9A C10A H10A 108.3 . .
C11A C10A H10A 108.3 . .
C15A C10A H10A 108.3 . .
C10A C11A C19A 112.6(8) . .
C10A C11A C12A 110.8(6) . .
C19A C11A C12A 112.6(8) . .
C10A C11A H11A 106.8 . .
C19A C11A H11A 106.8 . .
C12A C11A H11A 106.8 . .
C16A C12A C13A 87.0(6) . .
C16A C12A C11A 105.9(7) . .
C13A C12A C11A 115.0(7) . .
C16A C12A H12A 115.1 . .
C13A C12A H12A 115.1 . .
C11A C12A H12A 115.1 . .
C12A C13A C17A 121.4(8) . .
C12A C13A C14A 86.2(6) . .
C17A C13A C14A 119.3(8) . .
C12A C13A C18A 111.0(8) . .
C17A C13A C18A 107.9(8) . .
C14A C13A C18A 109.5(8) . .
C16A C14A C13A 86.4(7) . .
C16A C14A C15A 108.1(8) . .
C13A C14A C15A 110.6(7) . .
C16A C14A H14A 116.0 . .
C13A C14A H14A 116.0 . .
C15A C14A H14A 116.0 . .
C10A C15A C14A 112.7(7) . .
C10A C15A H15A 109.1 . .
C14A C15A H15A 109.1 . .
C10A C15A H15B 109.1 . .
C14A C15A H15B 109.1 . .
H15A C15A H15B 107.8 . .
C14A C16A C12A 88.7(7) . .
C14A C16A H16A 113.9 . .
C12A C16A H16A 113.9 . .
C14A C16A H16B 113.9 . .
C12A C16A H16B 113.9 . .
H16A C16A H16B 111.1 . .
C13A C17A H17A 109.5 . .
C13A C17A H17B 109.5 . .
H17A C17A H17B 109.5 . .
C13A C17A H17C 109.5 . .
H17A C17A H17C 109.5 . .
H17B C17A H17C 109.5 . .
C13A C18A H18A 109.5 . .
C13A C18A H18B 109.5 . .
H18A C18A H18B 109.5 . .
C13A C18A H18C 109.5 . .
H18A C18A H18C 109.5 . .
H18B C18A H18C 109.5 . .
C11A C19A H19A 109.5 . .
C11A C19A H19B 109.5 . .
H19A C19A H19B 109.5 . .
C11A C19A H19C 109.5 . .
H19A C19A H19C 109.5 . .
H19B C19A H19C 109.5 . .
C1B O1B Li2 122.5(8) . .
C1B O1B Ti1 113.1(6) . .
Li2 O1B Ti1 119.9(6) . .
C2B O2B Ti1 113.8(7) . .
O1B C1B C2B 113.9(10) . .
O1B C1B C6B 124.4(10) . .
C2B C1B C6B 121.6(11) . .
O2B C2B C1B 116.7(10) . .
O2B C2B C3B 121.4(11) . .
C1B C2B C3B 121.8(11) . .
C4B C3B C2B 115.0(13) . .
C4B C3B H3B 122.5 . .
C2B C3B H3B 122.5 . .
C5B C4B C3B 125.3(14) . .
C5B C4B H4B 117.4 . .
C3B C4B H4B 117.4 . .
C4B C5B C6B 121.8(13) . .
C4B C5B H5B 119.1 . .
C6B C5B H5B 119.1 . .
C1B C6B C7B 122.3(11) . .
C1B C6B C5B 114.3(11) . .
C7B C6B C5B 123.3(11) . .
O8B C7B O9B 122.4(11) . .
O8B C7B C6B 128.4(10) . .
O9B C7B C6B 109.2(11) . .
O8B C7B Li2 33.2(6) . .
O9B C7B Li2 155.4(10) . .
C6B C7B Li2 95.4(8) . .
C7B O8B Li2 127.0(9) . .
C7B O9B C10B 117.1(9) . .
O9B C10B C11B 106.9(9) . .
O9B C10B C15B 102.1(9) . .
C11B C10B C15B 117.0(7) . .
O9B C10B H10B 110.1 . .
C11B C10B H10B 110.1 . .
C15B C10B H10B 110.1 . .
C10B C11B C19B 111.3(9) . .
C10B C11B C12B 110.4(7) . .
C19B C11B C12B 111.3(8) . .
C10B C11B H11B 107.9 . .
C19B C11B H11B 107.9 . .
C12B C11B H11B 107.9 . .
C16B C12B C13B 87.4(7) . .
C16B C12B C11B 105.7(9) . .
C13B C12B C11B 113.1(8) . .
C16B C12B H12B 115.7 . .
C13B C12B H12B 115.7 . .
C11B C12B H12B 115.7 . .
C12B C13B C17B 121.7(10) . .
C12B C13B C14B 86.2(7) . .
C17B C13B C14B 119.5(10) . .
C12B C13B C18B 109.5(9) . .
C17B C13B C18B 108.2(9) . .
C14B C13B C18B 110.1(9) . .
C16B C14B C13B 87.1(7) . .
C16B C14B C15B 109.2(9) . .
C13B C14B C15B 109.5(8) . .
C16B C14B H14B 115.8 . .
C13B C14B H14B 115.8 . .
C15B C14B H14B 115.8 . .
C10B C15B C14B 112.1(7) . .
C10B C15B H15C 109.2 . .
C14B C15B H15C 109.2 . .
C10B C15B H15D 109.2 . .
C14B C15B H15D 109.2 . .
H15C C15B H15D 107.9 . .
C14B C16B C12B 88.8(8) . .
C14B C16B H16C 113.8 . .
C12B C16B H16C 113.8 . .
C14B C16B H16D 113.8 . .
C12B C16B H16D 113.8 . .
H16C C16B H16D 111.1 . .
C13B C17B H17D 109.5 . .
C13B C17B H17E 109.5 . .
H17D C17B H17E 109.5 . .
C13B C17B H17F 109.5 . .
H17D C17B H17F 109.5 . .
H17E C17B H17F 109.5 . .
C13B C18B H18D 109.5 . .
C13B C18B H18E 109.5 . .
H18D C18B H18E 109.5 . .
C13B C18B H18F 109.5 . .
H18D C18B H18F 109.5 . .
H18E C18B H18F 109.5 . .
C11B C19B H19D 109.5 . .
C11B C19B H19E 109.5 . .
H19D C19B H19E 109.5 . .
C11B C19B H19F 109.5 . .
H19D C19B H19F 109.5 . .
H19E C19B H19F 109.5 . .
C1C O1C Li3 120.7(7) . .
C1C O1C Ti1 114.9(6) . .
Li3 O1C Ti1 122.0(5) . .
C2C O2C Ti1 117.0(6) . .
O1C C1C C6C 126.7(8) . .
O1C C1C C2C 115.2(9) . .
C6C C1C C2C 118.0(9) . .
C3C C2C O2C 122.6(11) . .
C3C C2C C1C 124.6(12) . .
O2C C2C C1C 112.8(9) . .
C2C C3C C4C 119.9(12) . .
C2C C3C H3C 120.1 . .
C4C C3C H3C 120.1 . .
C3C C4C C5C 119.9(11) . .
C3C C4C H4C 120.0 . .
C5C C4C H4C 120.0 . .
C4C C5C C6C 121.2(12) . .
C4C C5C H5C 119.4 . .
C6C C5C H5C 119.4 . .
C1C C6C C7C 122.7(9) . .
C1C C6C C5C 116.2(10) . .
C7C C6C C5C 121.0(10) . .
O8C C7C O9C 123.6(10) . .
O8C C7C C6C 125.0(11) . .
O9C C7C C6C 111.3(9) . .
O8C C7C Li3 31.7(6) . .
O9C C7C Li3 154.7(8) . .
C6C C7C Li3 93.8(7) . .
C7C O8C Li3 129.2(9) . .
C7C O9C C10C 114.0(8) . .
C11C C10C C15C 117.7(8) . .
C11C C10C O9C 102.9(11) . .
C15C C10C O9C 103.9(10) . .
C11C C10C H10C 110.6 . .
C15C C10C H10C 110.6 . .
O9C C10C H10C 110.6 . .
C10C C11C C19C 112.0(10) . .
C10C C11C C12C 110.2(8) . .
C19C C11C C12C 113.7(10) . .
C10C C11C H11C 106.8 . .
C19C C11C H11C 106.8 . .
C12C C11C H11C 106.8 . .
C16C C12C C13C 86.7(8) . .
C16C C12C C11C 104.2(10) . .
C13C C12C C11C 115.4(9) . .
C16C C12C H12C 115.5 . .
C13C C12C H12C 115.5 . .
C11C C12C H12C 115.5 . .
C12C C13C C17C 119.8(10) . .
C12C C13C C14C 86.4(7) . .
C17C C13C C14C 117.7(10) . .
C12C C13C C18C 111.8(10) . .
C17C C13C C18C 107.3(10) . .
C14C C13C C18C 112.8(9) . .
C16C C14C C13C 86.7(8) . .
C16C C14C C15C 108.2(9) . .
C13C C14C C15C 110.1(8) . .
C16C C14C H14C 116.0 . .
C13C C14C H14C 116.0 . .
C15C C14C H14C 116.0 . .
C10C C15C C14C 111.6(8) . .
C10C C15C H15E 109.3 . .
C14C C15C H15E 109.3 . .
C10C C15C H15F 109.3 . .
C14C C15C H15F 109.3 . .
H15E C15C H15F 108.0 . .
C14C C16C C12C 89.2(8) . .
C14C C16C H16E 113.8 . .
C12C C16C H16E 113.8 . .
C14C C16C H16F 113.8 . .
C12C C16C H16F 113.8 . .
H16E C16C H16F 111.0 . .
C13C C17C H17G 109.5 . .
C13C C17C H17H 109.5 . .
H17G C17C H17H 109.5 . .
C13C C17C H17I 109.5 . .
H17G C17C H17I 109.5 . .
H17H C17C H17I 109.5 . .
C13C C18C H18G 109.5 . .
C13C C18C H18H 109.5 . .
H18G C18C H18H 109.5 . .
C13C C18C H18I 109.5 . .
H18G C18C H18I 109.5 . .
H18H C18C H18I 109.5 . .
C11C C19C H19G 109.5 . .
C11C C19C H19H 109.5 . .
H19G C19C H19H 109.5 . .
C11C C19C H19I 109.5 . .
H19G C19C H19I 109.5 . .
H19H C19C H19I 109.5 . .
C1D O1D Li1 122.6(8) . .
C1D O1D Ti2 113.3(6) . .
Li1 O1D Ti2 122.2(6) . .
C2D O2D Ti2 118.7(6) . .
O1D C1D C6D 125.7(9) . .
O1D C1D C2D 115.1(9) . .
C6D C1D C2D 119.1(9) . .
O2D C2D C3D 125.2(10) . .
O2D C2D C1D 113.5(8) . .
C3D C2D C1D 121.3(11) . .
C2D C3D C4D 118.7(12) . .
C2D C3D H3D 120.7 . .
C4D C3D H3D 120.7 . .
C5D C4D C3D 123.3(12) . .
C5D C4D H4D 118.3 . .
C3D C4D H4D 118.3 . .
C4D C5D C6D 120.8(12) . .
C4D C5D H5D 119.6 . .
C6D C5D H5D 119.6 . .
C1D C6D C5D 116.7(10) . .
C1D C6D C7D 120.0(9) . .
C5D C6D C7D 123.3(10) . .
O8D C7D O9D 121.8(9) . .
O8D C7D C6D 127.8(10) . .
O9D C7D C6D 110.4(9) . .
O8D C7D Li1 32.3(6) . .
O9D C7D Li1 154.0(8) . .
C6D C7D Li1 95.5(7) . .
C7D O8D Li1 128.2(8) . .
C7D O9D C10D 120.7(8) . .
O9D C10D C11D 110.3(10) . .
O9D C10D C15D 110.6(9) . .
C11D C10D C15D 116.8(7) . .
O9D C10D H10D 106.1 . .
C11D C10D H10D 106.1 . .
C15D C10D H10D 106.1 . .
C10D C11D C19D 110.8(10) . .
C10D C11D C12D 110.6(7) . .
C19D C11D C12D 111.2(9) . .
C10D C11D H11D 108.1 . .
C19D C11D H11D 108.1 . .
C12D C11D H11D 108.1 . .
C16D C12D C13D 86.9(8) . .
C16D C12D C11D 106.3(9) . .
C13D C12D C11D 113.9(8) . .
C16D C12D H12D 115.4 . .
C13D C12D H12D 115.4 . .
C11D C12D H12D 115.4 . .
C12D C13D C14D 87.0(7) . .
C12D C13D C17D 119.6(10) . .
C14D C13D C17D 119.9(10) . .
C12D C13D C18D 111.3(9) . .
C14D C13D C18D 110.0(9) . .
C17D C13D C18D 107.7(9) . .
C16D C14D C13D 86.3(7) . .
C16D C14D C15D 106.3(9) . .
C13D C14D C15D 111.1(8) . .
C16D C14D H14D 116.4 . .
C13D C14D H14D 116.4 . .
C15D C14D H14D 116.4 . .
C10D C15D C14D 112.6(7) . .
C10D C15D H15G 109.1 . .
C14D C15D H15G 109.1 . .
C10D C15D H15H 109.1 . .
C14D C15D H15H 109.1 . .
H15G C15D H15H 107.8 . .
C14D C16D C12D 89.0(8) . .
C14D C16D H16G 113.8 . .
C12D C16D H16G 113.8 . .
C14D C16D H16H 113.8 . .
C12D C16D H16H 113.8 . .
H16G C16D H16H 111.0 . .
C13D C17D H17J 109.5 . .
C13D C17D H17K 109.5 . .
H17J C17D H17K 109.5 . .
C13D C17D H17L 109.5 . .
H17J C17D H17L 109.5 . .
H17K C17D H17L 109.5 . .
C13D C18D H18J 109.5 . .
C13D C18D H18K 109.5 . .
H18J C18D H18K 109.5 . .
C13D C18D H18L 109.5 . .
H18J C18D H18L 109.5 . .
H18K C18D H18L 109.5 . .
C11D C19D H19J 109.5 . .
C11D C19D H19K 109.5 . .
H19J C19D H19K 109.5 . .
C11D C19D H19L 109.5 . .
H19J C19D H19L 109.5 . .
H19K C19D H19L 109.5 . .
C1E O1E Li2 123.6(8) . .
C1E O1E Ti2 112.6(6) . .
Li2 O1E Ti2 120.9(5) . .
C2E O2E Ti2 116.4(7) . .
O1E C1E C2E 112.5(10) . .
O1E C1E C6E 124.4(10) . .
C2E C1E C6E 123.1(10) . .
O2E C2E C1E 117.8(10) . .
O2E C2E C3E 125.5(12) . .
C1E C2E C3E 116.7(12) . .
O2E C2E Ti2 38.8(5) . .
C1E C2E Ti2 79.3(6) . .
C3E C2E Ti2 162.7(10) . .
C4E C3E C2E 118.1(14) . .
C4E C3E H3E 120.9 . .
C2E C3E H3E 120.9 . .
C5E C4E C3E 124.8(16) . .
C5E C4E H4E 117.6 . .
C3E C4E H4E 117.6 . .
C4E C5E C6E 124.1(15) . .
C4E C5E H5E 118.0 . .
C6E C5E H5E 118.0 . .
C5E C6E C7E 125.8(12) . .
C5E C6E C1E 113.0(12) . .
C7E C6E C1E 121.0(10) . .
O8E C7E O9E 126.9(12) . .
O8E C7E C6E 126.6(11) . .
O9E C7E C6E 106.4(11) . .
C7E O8E Li2 129.6(9) . .
C7E O9E C10E 115.3(10) . .
O9E C10E C11E 109.5(10) . .
O9E C10E C15E 102.7(10) . .
C11E C10E C15E 117.2(7) . .
O9E C10E H10E 109.0 . .
C11E C10E H10E 109.0 . .
C15E C10E H10E 109.0 . .
C10E C11E C19E 113.8(9) . .
C10E C11E C12E 110.6(7) . .
C19E C11E C12E 112.2(9) . .
C10E C11E H11E 106.6 . .
C19E C11E H11E 106.6 . .
C12E C11E H11E 106.6 . .
C16E C12E C13E 86.8(8) . .
C16E C12E C11E 105.4(9) . .
C13E C12E C11E 114.2(8) . .
C16E C12E H12E 115.6 . .
C13E C12E H12E 115.6 . .
C11E C12E H12E 115.6 . .
C12E C13E C17E 121.3(10) . .
C12E C13E C14E 86.6(7) . .
C17E C13E C14E 118.9(11) . .
C12E C13E C18E 110.9(10) . .
C17E C13E C18E 108.6(10) . .
C14E C13E C18E 108.7(9) . .
C16E C14E C13E 86.5(8) . .
C16E C14E C15E 108.1(9) . .
C13E C14E C15E 110.5(9) . .
C16E C14E H14E 116.0 . .
C13E C14E H14E 116.0 . .
C15E C14E H14E 116.0 . .
C10E C15E C14E 112.2(8) . .
C10E C15E H15I 109.2 . .
C14E C15E H15I 109.2 . .
C10E C15E H15J 109.2 . .
C14E C15E H15J 109.2 . .
H15I C15E H15J 107.9 . .
C14E C16E C12E 89.1(8) . .
C14E C16E H16I 113.8 . .
C12E C16E H16I 113.8 . .
C14E C16E H16J 113.8 . .
C12E C16E H16J 113.8 . .
H16I C16E H16J 111.0 . .
C13E C17E H17M 109.5 . .
C13E C17E H17N 109.5 . .
H17M C17E H17N 109.5 . .
C13E C17E H17O 109.5 . .
H17M C17E H17O 109.5 . .
H17N C17E H17O 109.5 . .
C13E C18E H18M 109.5 . .
C13E C18E H18N 109.5 . .
H18M C18E H18N 109.5 . .
C13E C18E H18O 109.5 . .
H18M C18E H18O 109.5 . .
H18N C18E H18O 109.5 . .
C11E C19E H19M 109.5 . .
C11E C19E H19N 109.5 . .
H19M C19E H19N 109.5 . .
C11E C19E H19O 109.5 . .
H19M C19E H19O 109.5 . .
H19N C19E H19O 109.5 . .
C1F O1F Li3 120.9(7) . .
C1F O1F Ti2 114.0(5) . .
Li3 O1F Ti2 119.7(5) . .
C2F O2F Ti2 117.0(6) . .
O1F C1F C6F 127.6(9) . .
O1F C1F C2F 114.3(9) . .
C6F C1F C2F 118.1(9) . .
O2F C2F C3F 124.2(10) . .
O2F C2F C1F 113.4(9) . .
C3F C2F C1F 122.5(11) . .
C4F C3F C2F 118.3(12) . .
C4F C3F H3F 120.9 . .
C2F C3F H3F 120.9 . .
C3F C4F C5F 123.1(12) . .
C3F C4F H4F 118.5 . .
C5F C4F H4F 118.5 . .
C6F C5F C4F 118.7(12) . .
C6F C5F H5F 120.7 . .
C4F C5F H5F 120.7 . .
C1F C6F C5F 119.4(11) . .
C1F C6F C7F 120.8(9) . .
C5F C6F C7F 119.7(10) . .
O8F C7F O9F 122.5(10) . .
O8F C7F C6F 125.1(9) . .
O9F C7F C6F 112.3(11) . .
C7F O8F Li3 128.7(8) . .
C7F O9F C10F 118.3(9) . .
O9F C10F C11F 105.5(9) . .
O9F C10F C15F 103.1(10) . .
C11F C10F C15F 116.8(7) . .
O9F C10F H10F 110.4 . .
C11F C10F H10F 110.4 . .
C15F C10F H10F 110.4 . .
C10F C11F C19F 112.2(10) . .
C10F C11F C12F 110.5(7) . .
C19F C11F C12F 113.7(10) . .
C10F C11F H11F 106.7 . .
C19F C11F H11F 106.7 . .
C12F C11F H11F 106.7 . .
C16F C12F C13F 86.9(7) . .
C16F C12F C11F 105.5(9) . .
C13F C12F C11F 114.9(8) . .
C16F C12F H12F 115.3 . .
C13F C12F H12F 115.3 . .
C11F C12F H12F 115.3 . .
C12F C13F C17F 120.7(9) . .
C12F C13F C14F 87.0(7) . .
C17F C13F C14F 118.6(10) . .
C12F C13F C18F 111.6(9) . .
C17F C13F C18F 109.0(9) . .
C14F C13F C18F 108.2(9) . .
C12F C13F C16F 46.4(5) . .
C17F C13F C16F 150.3(9) . .
C14F C13F C16F 46.0(4) . .
C18F C13F C16F 100.6(8) . .
C16F C14F C13F 85.9(7) . .
C16F C14F C15F 109.4(9) . .
C13F C14F C15F 107.9(8) . .
C16F C14F H14F 116.5 . .
C13F C14F H14F 116.5 . .
C15F C14F H14F 116.5 . .
C10F C15F C14F 112.5(7) . .
C10F C15F H15K 109.1 . .
C14F C15F H15K 109.1 . .
C10F C15F H15L 109.1 . .
C14F C15F H15L 109.1 . .
H15K C15F H15L 107.8 . .
C14F C16F C12F 89.3(7) . .
C14F C16F C13F 48.2(5) . .
C12F C16F C13F 46.7(5) . .
C14F C16F H16K 113.8 . .
C12F C16F H16K 113.8 . .
C13F C16F H16K 142.5 . .
C14F C16F H16L 113.8 . .
C12F C16F H16L 113.8 . .
C13F C16F H16L 106.4 . .
H16K C16F H16L 111.0 . .
C13F C17F H17P 109.5 . .
C13F C17F H17Q 109.5 . .
H17P C17F H17Q 109.5 . .
C13F C17F H17R 109.5 . .
H17P C17F H17R 109.5 . .
H17Q C17F H17R 109.5 . .
C13F C18F H18P 109.5 . .
C13F C18F H18Q 109.5 . .
H18P C18F H18Q 109.5 . .
C13F C18F H18R 109.5 . .
H18P C18F H18R 109.5 . .
H18Q C18F H18R 109.5 . .
C11F C19F H19P 109.5 . .
C11F C19F H19Q 109.5 . .
H19P C19F H19Q 109.5 . .
C11F C19F H19R 109.5 . .
H19P C19F H19R 109.5 . .
H19Q C19F H19R 109.5 . .
O8H Li5 O1G 117.7(9) . .
O8H Li5 O8G 105.2(9) . .
O1G Li5 O8G 91.8(7) . .
O8H Li5 O1H 91.1(7) . .
O1G Li5 O1H 136.7(10) . .
O8G Li5 O1H 112.1(9) . .
O8H Li5 Ti3 102.7(7) . .
O1G Li5 Ti3 31.5(4) . .
O8G Li5 Ti3 123.2(6) . .
O1H Li5 Ti3 115.8(7) . .
O8H Li5 Li5 99.4(9) . 3_665
O1G Li5 Li5 85.4(5) . 3_665
O8G Li5 Li5 153.4(7) . 3_665
O1H Li5 Li5 56.9(6) . 3_665
Ti3 Li5 Li5 59.0(2) . 3_665
O8H Li5 Li5 156.9(8) . 2_655
O1G Li5 Li5 54.8(6) . 2_655
O8G Li5 Li5 97.1(8) . 2_655
O1H Li5 Li5 85.8(5) . 2_655
Ti3 Li5 Li5 59.0(2) . 2_655
Li5 Li5 Li5 60.000(2) 3_665 2_655
O2G Ti3 O2G 93.4(3) 3_665 2_655
O2G Ti3 O2G 93.4(3) 3_665 .
O2G Ti3 O2G 93.4(3) 2_655 .
O2G Ti3 O1G 79.7(3) 3_665 3_665
O2G Ti3 O1G 102.7(3) 2_655 3_665
O2G Ti3 O1G 162.8(3) . 3_665
O2G Ti3 O1G 102.7(3) 3_665 .
O2G Ti3 O1G 162.8(3) 2_655 .
O2G Ti3 O1G 79.7(3) . .
O1G Ti3 O1G 86.3(3) 3_665 .
O2G Ti3 O1G 162.8(3) 3_665 2_655
O2G Ti3 O1G 79.7(3) 2_655 2_655
O2G Ti3 O1G 102.7(3) . 2_655
O1G Ti3 O1G 86.3(3) 3_665 2_655
O1G Ti3 O1G 86.3(3) . 2_655
O2G Ti3 Li5 108.2(4) 3_665 3_665
O2G Ti3 Li5 94.5(4) 2_655 3_665
O2G Ti3 Li5 156.5(4) . 3_665
O1G Ti3 Li5 29.1(3) 3_665 3_665
O1G Ti3 Li5 86.3(3) . 3_665
O1G Ti3 Li5 57.2(3) 2_655 3_665
O2G Ti3 Li5 94.5(4) 3_665 .
O2G Ti3 Li5 156.5(4) 2_655 .
O2G Ti3 Li5 108.2(4) . .
O1G Ti3 Li5 57.2(3) 3_665 .
O1G Ti3 Li5 29.1(3) . .
O1G Ti3 Li5 86.3(3) 2_655 .
Li5 Ti3 Li5 62.0(5) 3_665 .
O2G Ti3 Li5 156.5(4) 3_665 2_655
O2G Ti3 Li5 108.2(4) 2_655 2_655
O2G Ti3 Li5 94.5(4) . 2_655
O1G Ti3 Li5 86.3(3) 3_665 2_655
O1G Ti3 Li5 57.2(3) . 2_655
O1G Ti3 Li5 29.1(3) 2_655 2_655
Li5 Ti3 Li5 62.0(5) 3_665 2_655
Li5 Ti3 Li5 62.0(5) . 2_655
O2H Ti4 O2H 94.2(4) . 2_655
O2H Ti4 O2H 94.2(4) . 3_665
O2H Ti4 O2H 94.2(4) 2_655 3_665
O2H Ti4 O1H 79.1(3) . .
O2H Ti4 O1H 102.0(3) 2_655 .
O2H Ti4 O1H 162.8(4) 3_665 .
O2H Ti4 O1H 102.0(3) . 3_665
O2H Ti4 O1H 162.8(4) 2_655 3_665
O2H Ti4 O1H 79.1(3) 3_665 3_665
O1H Ti4 O1H 86.8(3) . 3_665
O2H Ti4 O1H 162.8(4) . 2_655
O2H Ti4 O1H 79.1(3) 2_655 2_655
O2H Ti4 O1H 102.0(3) 3_665 2_655
O1H Ti4 O1H 86.8(3) . 2_655
O1H Ti4 O1H 86.8(3) 3_665 2_655
C1G O1G Li5 123.8(8) . .
C1G O1G Ti3 112.8(6) . .
Li5 O1G Ti3 119.4(6) . .
C2G O2G Ti3 117.0(6) . .
O1G C1G C6G 124.5(9) . .
O1G C1G C2G 113.7(9) . .
C6G C1G C2G 121.7(10) . .
C3G C2G O2G 124.0(10) . .
C3G C2G C1G 120.5(11) . .
O2G C2G C1G 115.4(9) . .
C2G C3G C4G 120.3(11) . .
C2G C3G H3G 119.9 . .
C4G C3G H3G 119.9 . .
C5G C4G C3G 118.2(11) . .
C5G C4G H4G 120.9 . .
C3G C4G H4G 120.9 . .
C4G C5G C6G 124.8(11) . .
C4G C5G H5G 117.6 . .
C6G C5G H5G 117.6 . .
C1G C6G C7G 123.5(10) . .
C1G C6G C5G 114.4(10) . .
C7G C6G C5G 121.9(10) . .
O8G C7G O9G 119.4(9) . .
O8G C7G C6G 126.0(11) . .
O9G C7G C6G 114.5(9) . .
C7G O8G Li5 127.0(8) . .
C7G O9G C10G 119.9(7) . .
O9G C10G C11G 107.3(8) . .
O9G C10G C15G 106.0(8) . .
C11G C10G C15G 117.2(7) . .
O9G C10G H10G 108.7 . .
C11G C10G H10G 108.7 . .
C15G C10G H10G 108.7 . .
C10G C11G C19G 113.0(8) . .
C10G C11G C12G 110.0(7) . .
C19G C11G C12G 111.7(8) . .
C10G C11G H11G 107.3 . .
C19G C11G H11G 107.3 . .
C12G C11G H11G 107.3 . .
C16G C12G C13G 87.8(7) . .
C16G C12G C11G 105.9(8) . .
C13G C12G C11G 113.2(7) . .
C16G C12G H12G 115.5 . .
C13G C12G H12G 115.5 . .
C11G C12G H12G 115.5 . .
C12G C13G C17G 123.4(9) . .
C12G C13G C14G 86.1(6) . .
C17G C13G C14G 117.1(8) . .
C12G C13G C18G 110.8(8) . .
C17G C13G C18G 107.0(8) . .
C14G C13G C18G 111.1(8) . .
C16G C14G C13G 87.4(7) . .
C16G C14G C15G 107.8(9) . .
C13G C14G C15G 110.0(7) . .
C16G C14G H14G 116.0 . .
C13G C14G H14G 116.0 . .
C15G C14G H14G 116.0 . .
C10G C15G C14G 111.9(7) . .
C10G C15G H15M 109.2 . .
C14G C15G H15M 109.2 . .
C10G C15G H15N 109.2 . .
C14G C15G H15N 109.2 . .
H15M C15G H15N 107.9 . .
C14G C16G C12G 88.5(7) . .
C14G C16G H16M 113.9 . .
C12G C16G H16M 113.9 . .
C14G C16G H16N 113.9 . .
C12G C16G H16N 113.9 . .
H16M C16G H16N 111.1 . .
C13G C17G H17S 109.5 . .
C13G C17G H17T 109.5 . .
H17S C17G H17T 109.5 . .
C13G C17G H17U 109.5 . .
H17S C17G H17U 109.5 . .
H17T C17G H17U 109.5 . .
C13G C18G H18S 109.5 . .
C13G C18G H18T 109.5 . .
H18S C18G H18T 109.5 . .
C13G C18G H18U 109.5 . .
H18S C18G H18U 109.5 . .
H18T C18G H18U 109.5 . .
C11G C19G H19S 109.5 . .
C11G C19G H19T 109.5 . .
H19S C19G H19T 109.5 . .
C11G C19G H19U 109.5 . .
H19S C19G H19U 109.5 . .
H19T C19G H19U 109.5 . .
C1H O1H Li5 123.5(8) . .
C1H O1H Ti4 113.1(6) . .
Li5 O1H Ti4 120.4(6) . .
C2H O2H Ti4 116.7(7) . .
O1H C1H C2H 113.3(11) . .
O1H C1H C6H 126.5(9) . .
C2H C1H C6H 120.2(10) . .
O2H C2H C1H 116.6(11) . .
O2H C2H C3H 122.0(12) . .
C1H C2H C3H 121.3(13) . .
C4H C3H C2H 118.1(13) . .
C4H C3H H3H 121.0 . .
C2H C3H H3H 121.0 . .
C3H C4H C5H 120.9(14) . .
C3H C4H H4H 119.6 . .
C5H C4H H4H 119.6 . .
C6H C5H C4H 122.1(14) . .
C6H C5H H5H 118.9 . .
C4H C5H H5H 118.9 . .
C5H C6H C1H 117.4(11) . .
C5H C6H C7H 121.2(12) . .
C1H C6H C7H 121.3(10) . .
O8H C7H O9H 121.5(11) . .
O8H C7H C6H 124.8(11) . .
O9H C7H C6H 113.5(11) . .
C7H O8H Li5 130.6(9) . .
C7H O9H C10H 119.3(10) . .
C11H C10H O9H 107.8(14) . .
C11H C10H C15H 120.0(15) . .
O9H C10H C15H 104.7(13) . .
C11H C10H H10H 107.9 . .
O9H C10H H10H 107.9 . .
C15H C10H H10H 107.9 . .
C10H C11H C19H 114.9(16) . .
C10H C11H C12H 115.5(16) . .
C19H C11H C12H 107.4(16) . .
C10H C11H H11H 106.1 . .
C19H C11H H11H 106.1 . .
C12H C11H H11H 106.1 . .
C16H C12H C13H 85.6(19) . .
C16H C12H C11H 97.4(18) . .
C13H C12H C11H 108.5(18) . .
C16H C12H H12H 119.6 . .
C13H C12H H12H 119.6 . .
C11H C12H H12H 119.6 . .
C17H C13H C14H 113(2) . .
C17H C13H C12H 134(2) . .
C14H C13H C12H 89.3(19) . .
C17H C13H C18H 94(2) . .
C14H C13H C18H 116(2) . .
C12H C13H C18H 113(2) . .
C17H C13H C16H 152(2) . .
C14H C13H C16H 45.5(12) . .
C12H C13H C16H 47.1(13) . .
C18H C13H C16H 112(2) . .
C16H C14H C13H 88.7(19) . .
C16H C14H C15H 104.3(19) . .
C13H C14H C15H 111.7(19) . .
C16H C14H H14H 116.2 . .
C13H C14H H14H 116.2 . .
C15H C14H H14H 116.2 . .
C10H C15H C14H 107.3(16) . .
C10H C15H H15O 110.2 . .
C14H C15H H15O 110.2 . .
C10H C15H H15P 110.2 . .
C14H C15H H15P 110.2 . .
H15O C15H H15P 108.5 . .
C14H C16H C12H 90(2) . .
C14H C16H C13H 45.8(13) . .
C12H C16H C13H 47.3(13) . .
C14H C16H H16O 113.7 . .
C12H C16H H16O 113.7 . .
C13H C16H H16O 138.4 . .
C14H C16H H16P 113.7 . .
C12H C16H H16P 113.7 . .
C13H C16H H16P 110.6 . .
H16O C16H H16P 110.9 . .
C13H C17H H17V 109.5 . .
C13H C17H H17W 109.5 . .
H17V C17H H17W 109.5 . .
C13H C17H H17X 109.5 . .
H17V C17H H17X 109.5 . .
H17W C17H H17X 109.5 . .
C13H C18H H18V 109.5 . .
C13H C18H H18W 109.5 . .
H18V C18H H18W 109.5 . .
C13H C18H H18X 109.5 . .
H18V C18H H18X 109.5 . .
H18W C18H H18X 109.5 . .
C11H C19H H19V 109.5 . .
C11H C19H H19W 109.5 . .
H19V C19H H19W 109.5 . .
C11H C19H H19X 109.5 . .
H19V C19H H19X 109.5 . .
H19W C19H H19X 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O8D 1.879(19) .
Li1 O8A 1.941(15) .
Li1 O1D 1.956(15) .
Li1 O1A 2.017(14) .
Li1 C7D 2.764(19) .
Li2 O8B 1.909(18) .
Li2 O8E 1.947(17) .
Li2 O1B 1.959(17) .
Li2 O1E 1.995(18) .
Li2 C7B 2.79(2) .
Li2 Ti1 3.447(16) .
Li3 O8C 1.888(17) .
Li3 O8F 1.900(18) .
Li3 O1C 1.959(16) .
Li3 O1F 1.980(15) .
Li3 C7C 2.786(18) .
Li3 Ti1 3.449(16) .
Li3 Ti2 3.457(15) .
Ti1 O2A 1.870(7) .
Ti1 O2C 1.918(6) .
Ti1 O2B 1.942(7) .
Ti1 O1C 1.983(7) .
Ti1 O1A 2.014(6) .
Ti1 O1B 2.023(7) .
Ti2 O2E 1.889(7) .
Ti2 O2D 1.901(7) .
Ti2 O2F 1.938(8) .
Ti2 O1E 2.004(6) .
Ti2 O1F 2.019(5) .
Ti2 O1D 2.022(6) .
Ti2 C2E 2.698(12) .
O1A C1A 1.349(10) .
O2A C2A 1.348(12) .
C1A C2A 1.391(12) .
C1A C6A 1.400(12) .
C2A C3A 1.359(14) .
C3A C4A 1.304(15) .
C3A H3A 0.9400 .
C4A C5A 1.410(15) .
C4A H4A 0.9400 .
C5A C6A 1.446(13) .
C5A H5A 0.9400 .
C6A C7A 1.456(13) .
C7A O8A 1.236(10) .
C7A O9A 1.299(11) .
O9A C10A 1.449(11) .
C10A C11A 1.518(8) .
C10A C15A 1.526(9) .
C10A H10A 0.9900 .
C11A C19A 1.550(10) .
C11A C12A 1.559(9) .
C11A H11A 0.9900 .
C12A C16A 1.478(10) .
C12A C13A 1.485(9) .
C12A H12A 0.9900 .
C13A C17A 1.512(10) .
C13A C14A 1.520(9) .
C13A C18A 1.567(10) .
C14A C16A 1.460(10) .
C14A C15A 1.542(9) .
C14A H14A 0.9900 .
C15A H15A 0.9800 .
C15A H15B 0.9800 .
C16A H16A 0.9800 .
C16A H16B 0.9800 .
C17A H17A 0.9700 .
C17A H17B 0.9700 .
C17A H17C 0.9700 .
C18A H18A 0.9700 .
C18A H18B 0.9700 .
C18A H18C 0.9700 .
C19A H19A 0.9700 .
C19A H19B 0.9700 .
C19A H19C 0.9700 .
O1B C1B 1.338(12) .
O2B C2B 1.348(12) .
C1B C2B 1.388(15) .
C1B C6B 1.400(15) .
C2B C3B 1.397(17) .
C3B C4B 1.389(19) .
C3B H3B 0.9400 .
C4B C5B 1.286(17) .
C4B H4B 0.9400 .
C5B C6B 1.455(16) .
C5B H5B 0.9400 .
C6B C7B 1.417(16) .
C7B O8B 1.185(13) .
C7B O9B 1.363(13) .
O9B C10B 1.513(15) .
C10B C11B 1.521(9) .
C10B C15B 1.522(9) .
C10B H10B 0.9900 .
C11B C19B 1.550(10) .
C11B C12B 1.571(10) .
C11B H11B 0.9900 .
C12B C16B 1.479(10) .
C12B C13B 1.483(10) .
C12B H12B 0.9900 .
C13B C17B 1.512(11) .
C13B C14B 1.519(10) .
C13B C18B 1.568(11) .
C14B C16B 1.451(11) .
C14B C15B 1.536(9) .
C14B H14B 0.9900 .
C15B H15C 0.9800 .
C15B H15D 0.9800 .
C16B H16C 0.9800 .
C16B H16D 0.9800 .
C17B H17D 0.9700 .
C17B H17E 0.9700 .
C17B H17F 0.9700 .
C18B H18D 0.9700 .
C18B H18E 0.9700 .
C18B H18F 0.9700 .
C19B H19D 0.9700 .
C19B H19E 0.9700 .
C19B H19F 0.9700 .
O1C C1C 1.341(10) .
O2C C2C 1.377(13) .
C1C C6C 1.373(14) .
C1C C2C 1.389(14) .
C2C C3C 1.322(15) .
C3C C4C 1.326(16) .
C3C H3C 0.9400 .
C4C C5C 1.369(16) .
C4C H4C 0.9400 .
C5C C6C 1.454(14) .
C5C H5C 0.9400 .
C6C C7C 1.447(15) .
C7C O8C 1.178(11) .
C7C O9C 1.355(13) .
O9C C10C 1.543(17) .
C10C C11C 1.513(9) .
C10C C15C 1.521(9) .
C10C H10C 0.9900 .
C11C C19C 1.551(10) .
C11C C12C 1.563(10) .
C11C H11C 0.9900 .
C12C C16C 1.482(11) .
C12C C13C 1.491(10) .
C12C H12C 0.9900 .
C13C C17C 1.518(11) .
C13C C14C 1.519(10) .
C13C C18C 1.556(11) .
C14C C16C 1.452(11) .
C14C C15C 1.549(10) .
C14C H14C 0.9900 .
C15C H15E 0.9800 .
C15C H15F 0.9800 .
C16C H16E 0.9800 .
C16C H16F 0.9800 .
C17C H17G 0.9700 .
C17C H17H 0.9700 .
C17C H17I 0.9700 .
C18C H18G 0.9700 .
C18C H18H 0.9700 .
C18C H18I 0.9700 .
C19C H19G 0.9700 .
C19C H19H 0.9700 .
C19C H19I 0.9700 .
O1D C1D 1.324(11) .
O2D C2D 1.316(12) .
C1D C6D 1.420(14) .
C1D C2D 1.421(14) .
C2D C3D 1.352(14) .
C3D C4D 1.401(17) .
C3D H3D 0.9400 .
C4D C5D 1.300(16) .
C4D H4D 0.9400 .
C5D C6D 1.452(15) .
C5D H5D 0.9400 .
C6D C7D 1.476(14) .
C7D O8D 1.175(11) .
C7D O9D 1.378(12) .
O9D C10D 1.402(13) .
C10D C11D 1.515(9) .
C10D C15D 1.526(9) .
C10D H10D 0.9900 .
C11D C19D 1.556(11) .
C11D C12D 1.565(10) .
C11D H11D 0.9900 .
C12D C16D 1.478(11) .
C12D C13D 1.482(10) .
C12D H12D 0.9900 .
C13D C14D 1.513(10) .
C13D C17D 1.515(11) .
C13D C18D 1.564(11) .
C14D C16D 1.464(11) .
C14D C15D 1.547(9) .
C14D H14D 0.9900 .
C15D H15G 0.9800 .
C15D H15H 0.9800 .
C16D H16G 0.9800 .
C16D H16H 0.9800 .
C17D H17J 0.9700 .
C17D H17K 0.9700 .
C17D H17L 0.9700 .
C18D H18J 0.9700 .
C18D H18K 0.9700 .
C18D H18L 0.9700 .
C19D H19J 0.9700 .
C19D H19K 0.9700 .
C19D H19L 0.9700 .
O1E C1E 1.331(11) .
O2E C2E 1.262(13) .
C1E C2E 1.402(15) .
C1E C6E 1.485(15) .
C2E C3E 1.438(18) .
C3E C4E 1.40(2) .
C3E H3E 0.9400 .
C4E C5E 1.26(2) .
C4E H4E 0.9400 .
C5E C6E 1.424(18) .
C5E H5E 0.9400 .
C6E C7E 1.470(17) .
C7E O8E 1.179(13) .
C7E O9E 1.327(14) .
O9E C10E 1.489(16) .
C10E C11E 1.518(9) .
C10E C15E 1.522(9) .
C10E H10E 0.9900 .
C11E C19E 1.535(10) .
C11E C12E 1.568(9) .
C11E H11E 0.9900 .
C12E C16E 1.482(11) .
C12E C13E 1.486(10) .
C12E H12E 0.9900 .
C13E C17E 1.511(11) .
C13E C14E 1.519(10) .
C13E C18E 1.562(11) .
C14E C16E 1.457(11) .
C14E C15E 1.537(10) .
C14E H14E 0.9900 .
C15E H15I 0.9800 .
C15E H15J 0.9800 .
C16E H16I 0.9800 .
C16E H16J 0.9800 .
C17E H17M 0.9700 .
C17E H17N 0.9700 .
C17E H17O 0.9700 .
C18E H18M 0.9700 .
C18E H18N 0.9700 .
C18E H18O 0.9700 .
C19E H19M 0.9700 .
C19E H19N 0.9700 .
C19E H19O 0.9700 .
O1F C1F 1.323(10) .
O2F C2F 1.323(12) .
C1F C6F 1.376(14) .
C1F C2F 1.455(14) .
C2F C3F 1.356(14) .
C3F C4F 1.330(17) .
C3F H3F 0.9400 .
C4F C5F 1.428(17) .
C4F H4F 0.9400 .
C5F C6F 1.407(15) .
C5F H5F 0.9400 .
C6F C7F 1.471(15) .
C7F O8F 1.213(12) .
C7F O9F 1.329(12) .
O9F C10F 1.485(15) .
C10F C11F 1.523(9) .
C10F C15F 1.523(9) .
C10F H10F 0.9900 .
C11F C19F 1.543(10) .
C11F C12F 1.567(10) .
C11F H11F 0.9900 .
C12F C16F 1.473(11) .
C12F C13F 1.479(10) .
C12F H12F 0.9900 .
C13F C17F 1.512(11) .
C13F C14F 1.517(10) .
C13F C18F 1.565(11) .
C13F C16F 2.031(13) .
C14F C16F 1.463(10) .
C14F C15F 1.550(10) .
C14F H14F 0.9900 .
C15F H15K 0.9800 .
C15F H15L 0.9800 .
C16F H16K 0.9800 .
C16F H16L 0.9800 .
C17F H17P 0.9700 .
C17F H17Q 0.9700 .
C17F H17R 0.9700 .
C18F H18P 0.9700 .
C18F H18Q 0.9700 .
C18F H18R 0.9700 .
C19F H19P 0.9700 .
C19F H19Q 0.9700 .
C19F H19R 0.9700 .
Li5 O8H 1.882(17) .
Li5 O1G 1.912(17) .
Li5 O8G 1.955(18) .
Li5 O1H 1.982(17) .
Li5 Ti3 3.420(17) .
Li5 Li5 3.52(3) 3_665
Li5 Li5 3.52(3) 2_655
Ti3 O2G 1.907(7) 3_665
Ti3 O2G 1.907(7) 2_655
Ti3 O2G 1.907(7) .
Ti3 O1G 2.048(7) 3_665
Ti3 O1G 2.048(7) .
Ti3 O1G 2.048(7) 2_655
Ti3 Li5 3.420(17) 3_665
Ti3 Li5 3.420(17) 2_655
Ti4 O2H 1.876(9) .
Ti4 O2H 1.876(9) 2_655
Ti4 O2H 1.876(9) 3_665
Ti4 O1H 2.046(7) .
Ti4 O1H 2.046(7) 3_665
Ti4 O1H 2.046(7) 2_655
O1G C1G 1.339(11) .
O2G C2G 1.328(13) .
C1G C6G 1.389(14) .
C1G C2G 1.429(14) .
C2G C3G 1.330(14) .
C3G C4G 1.435(18) .
C3G H3G 0.9400 .
C4G C5G 1.334(16) .
C4G H4G 0.9400 .
C5G C6G 1.437(15) .
C5G H5G 0.9400 .
C6G C7G 1.398(14) .
C7G O8G 1.219(11) .
C7G O9G 1.326(12) .
O9G C10G 1.501(12) .
C10G C11G 1.519(9) .
C10G C15G 1.526(9) .
C10G H10G 0.9900 .
C11G C19G 1.544(10) .
C11G C12G 1.567(9) .
C11G H11G 0.9900 .
C12G C16G 1.485(10) .
C12G C13G 1.488(10) .
C12G H12G 0.9900 .
C13G C17G 1.514(10) .
C13G C14G 1.521(9) .
C13G C18G 1.559(11) .
C14G C16G 1.460(10) .
C14G C15G 1.542(9) .
C14G H14G 0.9900 .
C15G H15M 0.9800 .
C15G H15N 0.9800 .
C16G H16M 0.9800 .
C16G H16N 0.9800 .
C17G H17S 0.9700 .
C17G H17T 0.9700 .
C17G H17U 0.9700 .
C18G H18S 0.9700 .
C18G H18T 0.9700 .
C18G H18U 0.9700 .
C19G H19S 0.9700 .
C19G H19T 0.9700 .
C19G H19U 0.9700 .
O1H C1H 1.328(11) .
O2H C2H 1.341(15) .
C1H C2H 1.373(16) .
C1H C6H 1.399(15) .
C2H C3H 1.401(17) .
C3H C4H 1.326(19) .
C3H H3H 0.9400 .
C4H C5H 1.408(18) .
C4H H4H 0.9400 .
C5H C6H 1.344(15) .
C5H H5H 0.9400 .
C6H C7H 1.438(16) .
C7H O8H 1.248(13) .
C7H O9H 1.343(15) .
O9H C10H 1.458(17) .
C10H C11H 1.41(2) .
C10H C15H 1.51(2) .
C10H H10H 0.9900 .
C11H C19H 1.48(3) .
C11H C12H 1.62(2) .
C11H H11H 0.9900 .
C12H C16H 1.49(3) .
C12H C13H 1.50(3) .
C12H H12H 0.9900 .
C13H C17H 1.40(3) .
C13H C14H 1.46(3) .
C13H C18H 1.61(4) .
C13H C16H 2.03(4) .
C14H C16H 1.45(3) .
C14H C15H 1.61(3) .
C14H H14H 0.9900 .
C15H H15O 0.9800 .
C15H H15P 0.9800 .
C16H H16O 0.9800 .
C16H H16P 0.9800 .
C17H H17V 0.9700 .
C17H H17W 0.9700 .
C17H H17X 0.9700 .
C18H H18V 0.9700 .
C18H H18W 0.9700 .
C18H H18X 0.9700 .
C19H H19V 0.9700 .
C19H H19W 0.9700 .
C19H H19X 0.9700 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O8C Li3 Ti1 O2A -102.6(8) . .
O8F Li3 Ti1 O2A 14.3(6) . .
O1C Li3 Ti1 O2A -107.0(7) . .
O1F Li3 Ti1 O2A 111.5(7) . .
C7C Li3 Ti1 O2A -97.8(5) . .
Ti2 Li3 Ti1 O2A 143.4(4) . .
O8C Li3 Ti1 O2C -7.6(9) . .
O8F Li3 Ti1 O2C 109.3(6) . .
O1C Li3 Ti1 O2C -12.0(7) . .
O1F Li3 Ti1 O2C -153.5(6) . .
C7C Li3 Ti1 O2C -2.8(6) . .
Ti2 Li3 Ti1 O2C -121.5(4) . .
O8C Li3 Ti1 O2B 150.6(8) . .
O8F Li3 Ti1 O2B -92.5(10) . .
O1C Li3 Ti1 O2B 146.2(8) . .
O1F Li3 Ti1 O2B 4.7(14) . .
C7C Li3 Ti1 O2B 155.4(7) . .
Ti2 Li3 Ti1 O2B 36.6(11) . .
O8C Li3 Ti1 O1C 4.4(5) . .
O8F Li3 Ti1 O1C 121.3(9) . .
O1F Li3 Ti1 O1C -141.5(11) . .
C7C Li3 Ti1 O1C 9.2(4) . .
Ti2 Li3 Ti1 O1C -109.6(8) . .
O8C Li3 Ti1 O1A -178.3(9) . .
O8F Li3 Ti1 O1A -61.4(5) . .
O1C Li3 Ti1 O1A 177.3(8) . .
O1F Li3 Ti1 O1A 35.8(6) . .
C7C Li3 Ti1 O1A -173.5(6) . .
Ti2 Li3 Ti1 O1A 67.7(3) . .
O8C Li3 Ti1 O1B 93.7(8) . .
O8F Li3 Ti1 O1B -149.4(6) . .
O1C Li3 Ti1 O1B 89.4(6) . .
O1F Li3 Ti1 O1B -52.2(7) . .
C7C Li3 Ti1 O1B 98.5(5) . .
Ti2 Li3 Ti1 O1B -20.2(4) . .
O8C Li3 Ti1 Li2 78.3(8) . .
O8F Li3 Ti1 Li2 -164.7(7) . .
O1C Li3 Ti1 Li2 74.0(7) . .
O1F Li3 Ti1 Li2 -67.5(7) . .
C7C Li3 Ti1 Li2 83.2(5) . .
Ti2 Li3 Ti1 Li2 -35.6(4) . .
O8B Li2 Ti1 O2A 154.2(7) . .
O8E Li2 Ti1 O2A -94.9(10) . .
O1B Li2 Ti1 O2A 145.0(8) . .
O1E Li2 Ti1 O2A 2.0(13) . .
C7B Li2 Ti1 O2A 157.1(7) . .
O8B Li2 Ti1 O2C -95.8(8) . .
O8E Li2 Ti1 O2C 15.1(7) . .
O1B Li2 Ti1 O2C -105.0(7) . .
O1E Li2 Ti1 O2C 112.1(7) . .
C7B Li2 Ti1 O2C -92.8(5) . .
O8B Li2 Ti1 O2B 0.5(9) . .
O8E Li2 Ti1 O2B 111.4(6) . .
O1B Li2 Ti1 O2B -8.7(7) . .
O1E Li2 Ti1 O2B -151.7(6) . .
C7B Li2 Ti1 O2B 3.4(6) . .
O8B Li2 Ti1 O1C -170.4(10) . .
O8E Li2 Ti1 O1C -59.4(6) . .
O1B Li2 Ti1 O1C -179.5(8) . .
O1E Li2 Ti1 O1C 37.5(5) . .
C7B Li2 Ti1 O1C -167.4(6) . .
O8B Li2 Ti1 O1A 99.6(8) . .
O8E Li2 Ti1 O1A -149.5(6) . .
O1B Li2 Ti1 O1A 90.4(6) . .
O1E Li2 Ti1 O1A -52.6(6) . .
C7B Li2 Ti1 O1A 102.5(5) . .
O8B Li2 Ti1 O1B 9.2(5) . .
O8E Li2 Ti1 O1B 120.1(10) . .
O1E Li2 Ti1 O1B -143.0(11) . .
C7B Li2 Ti1 O1B 12.1(4) . .
O8B Li2 Ti1 Li3 156.6(10) . .
O8E Li2 Ti1 Li3 -92.4(7) . .
O1B Li2 Ti1 Li3 147.5(8) . .
O1E Li2 Ti1 Li3 4.5(6) . .
C7B Li2 Ti1 Li3 159.6(6) . .
O8C Li3 Ti2 O2E 15.2(6) . .
O8F Li3 Ti2 O2E -101.2(8) . .
O1C Li3 Ti2 O2E 113.4(7) . .
O1F Li3 Ti2 O2E -108.4(7) . .
C7C Li3 Ti2 O2E 30.4(6) . .
Ti1 Li3 Ti2 O2E 143.8(4) . .
O8C Li3 Ti2 O2D -94.3(11) . .
O8F Li3 Ti2 O2D 149.3(8) . .
O1C Li3 Ti2 O2D 3.8(14) . .
O1F Li3 Ti2 O2D 142.0(8) . .
C7C Li3 Ti2 O2D -79.1(11) . .
Ti1 Li3 Ti2 O2D 34.2(11) . .
O8C Li3 Ti2 O2F 108.6(6) . .
O8F Li3 Ti2 O2F -7.8(9) . .
O1C Li3 Ti2 O2F -153.2(6) . .
O1F Li3 Ti2 O2F -15.0(7) . .
C7C Li3 Ti2 O2F 123.8(5) . .
Ti1 Li3 Ti2 O2F -122.9(4) . .
O8C Li3 Ti2 O1E -59.2(5) . .
O8F Li3 Ti2 O1E -175.6(10) . .
O1C Li3 Ti2 O1E 39.0(6) . .
O1F Li3 Ti2 O1E 177.2(8) . .
C7C Li3 Ti2 O1E -44.0(5) . .
Ti1 Li3 Ti2 O1E 69.4(4) . .
O8C Li3 Ti2 O1F 123.7(10) . .
O8F Li3 Ti2 O1F 7.3(5) . .
O1C Li3 Ti2 O1F -138.2(11) . .
C7C Li3 Ti2 O1F 138.8(10) . .
Ti1 Li3 Ti2 O1F -107.8(8) . .
O8C Li3 Ti2 O1D -146.6(6) . .
O8F Li3 Ti2 O1D 97.0(8) . .
O1C Li3 Ti2 O1D -48.5(7) . .
O1F Li3 Ti2 O1D 89.7(6) . .
C7C Li3 Ti2 O1D -131.5(6) . .
Ti1 Li3 Ti2 O1D -18.1(4) . .
O8C Li3 Ti2 C2E -7.1(6) . .
O8F Li3 Ti2 C2E -123.5(9) . .
O1C Li3 Ti2 C2E 91.1(7) . .
O1F Li3 Ti2 C2E -130.7(7) . .
C7C Li3 Ti2 C2E 8.1(6) . .
Ti1 Li3 Ti2 C2E 121.4(4) . .
O2A Ti1 O1A C1A 5.6(6) . .
O2C Ti1 O1A C1A 71.3(12) . .
O2B Ti1 O1A C1A -85.7(6) . .
O1C Ti1 O1A C1A 107.8(5) . .
O1B Ti1 O1A C1A -164.4(6) . .
Li3 Ti1 O1A C1A 106.5(6) . .
Li2 Ti1 O1A C1A 166.0(6) . .
O2A Ti1 O1A Li1 169.9(7) . .
O2C Ti1 O1A Li1 -124.4(12) . .
O2B Ti1 O1A Li1 78.7(7) . .
O1C Ti1 O1A Li1 -87.8(7) . .
O1B Ti1 O1A Li1 -0.1(7) . .
Li3 Ti1 O1A Li1 -89.1(7) . .
Li2 Ti1 O1A Li1 -29.6(7) . .
O8D Li1 O1A C1A 98.4(9) . .
O8A Li1 O1A C1A -12.1(11) . .
O1D Li1 O1A C1A -142.7(10) . .
C7D Li1 O1A C1A 111.8(9) . .
O8D Li1 O1A Ti1 -64.5(9) . .
O8A Li1 O1A Ti1 -175.1(4) . .
O1D Li1 O1A Ti1 54.4(14) . .
C7D Li1 O1A Ti1 -51.1(11) . .
O2C Ti1 O2A C2A -170.8(7) . .
O2B Ti1 O2A C2A 94.6(7) . .
O1C Ti1 O2A C2A -90.8(7) . .
O1A Ti1 O2A C2A -4.8(7) . .
O1B Ti1 O2A C2A 33.1(16) . .
Li3 Ti1 O2A C2A -62.7(8) . .
Li2 Ti1 O2A C2A -60.5(12) . .
Ti1 O1A C1A C2A -5.4(9) . .
Li1 O1A C1A C2A -169.7(9) . .
Ti1 O1A C1A C6A 174.4(7) . .
Li1 O1A C1A C6A 10.1(13) . .
Ti1 O2A C2A C3A -174.7(9) . .
Ti1 O2A C2A C1A 3.3(11) . .
O1A C1A C2A O2A 1.6(12) . .
C6A C1A C2A O2A -178.2(8) . .
O1A C1A C2A C3A 179.8(9) . .
C6A C1A C2A C3A 0.0(14) . .
O2A C2A C3A C4A -179.9(11) . .
C1A C2A C3A C4A 2.2(18) . .
C2A C3A C4A C5A -2.4(19) . .
C3A C4A C5A C6A 0.5(17) . .
O1A C1A C6A C5A 178.5(8) . .
C2A C1A C6A C5A -1.7(13) . .
O1A C1A C6A C7A -4.5(14) . .
C2A C1A C6A C7A 175.3(9) . .
C4A C5A C6A C1A 1.4(14) . .
C4A C5A C6A C7A -175.7(9) . .
C1A C6A C7A O8A 5.5(15) . .
C5A C6A C7A O8A -177.5(9) . .
C1A C6A C7A O9A -173.8(9) . .
C5A C6A C7A O9A 3.1(12) . .
O9A C7A O8A Li1 166.1(10) . .
C6A C7A O8A Li1 -13.1(15) . .
O8D Li1 O8A C7A -100.8(10) . .
O1D Li1 O8A C7A 154.7(8) . .
O1A Li1 O8A C7A 14.4(12) . .
C7D Li1 O8A C7A -120.6(9) . .
O8A C7A O9A C10A -0.4(14) . .
C6A C7A O9A C10A 178.9(8) . .
C7A O9A C10A C11A -151.8(8) . .
C7A O9A C10A C15A 82.0(10) . .
O9A C10A C11A C19A 106.8(10) . .
C15A C10A C11A C19A -132.1(11) . .
O9A C10A C11A C12A -126.0(8) . .
C15A C10A C11A C12A -4.8(12) . .
C10A C11A C12A C16A 51.5(10) . .
C19A C11A C12A C16A 178.8(9) . .
C10A C11A C12A C13A -42.7(10) . .
C19A C11A C12A C13A 84.5(10) . .
C16A C12A C13A C17A -147.2(9) . .
C11A C12A C13A C17A -41.0(12) . .
C16A C12A C13A C14A -24.9(7) . .
C11A C12A C13A C14A 81.3(8) . .
C16A C12A C13A C18A 84.5(9) . .
C11A C12A C13A C18A -169.3(8) . .
C12A C13A C14A C16A 25.3(7) . .
C17A C13A C14A C16A 149.5(9) . .
C18A C13A C14A C16A -85.7(9) . .
C12A C13A C14A C15A -82.7(8) . .
C17A C13A C14A C15A 41.5(11) . .
C18A C13A C14A C15A 166.3(9) . .
O9A C10A C15A C14A 121.5(9) . .
C11A C10A C15A C14A 1.2(14) . .
C16A C14A C15A C10A -44.5(12) . .
C13A C14A C15A C10A 48.5(12) . .
C13A C14A C16A C12A -25.4(7) . .
C15A C14A C16A C12A 85.2(8) . .
C13A C12A C16A C14A 26.0(7) . .
C11A C12A C16A C14A -89.2(8) . .
O8B Li2 O1B C1B -17.8(11) . .
O8E Li2 O1B C1B 86.0(11) . .
O1E Li2 O1B C1B -152.7(11) . .
C7B Li2 O1B C1B -13.2(8) . .
Ti1 Li2 O1B C1B 154.5(10) . .
O8B Li2 O1B Ti1 -172.3(4) . .
O8E Li2 O1B Ti1 -68.5(10) . .
O1E Li2 O1B Ti1 52.8(14) . .
C7B Li2 O1B Ti1 -167.7(4) . .
O2A Ti1 O1B C1B 78.2(13) . .
O2C Ti1 O1B C1B -77.5(6) . .
O2B Ti1 O1B C1B 14.9(6) . .
O1C Ti1 O1B C1B -156.3(6) . .
O1A Ti1 O1B C1B 115.4(6) . .
Li3 Ti1 O1B C1B 174.9(6) . .
Li2 Ti1 O1B C1B -156.7(10) . .
O2A Ti1 O1B Li2 -125.1(12) . .
O2C Ti1 O1B Li2 79.2(7) . .
O2B Ti1 O1B Li2 171.6(7) . .
O1C Ti1 O1B Li2 0.4(7) . .
O1A Ti1 O1B Li2 -87.9(7) . .
Li3 Ti1 O1B Li2 -28.4(7) . .
O2A Ti1 O2B C2B 179.2(7) . .
O2C Ti1 O2B C2B 85.4(7) . .
O1C Ti1 O2B C2B 19.3(15) . .
O1A Ti1 O2B C2B -100.5(7) . .
O1B Ti1 O2B C2B -15.4(7) . .
Li3 Ti1 O2B C2B -73.8(12) . .
Li2 Ti1 O2B C2B -11.1(8) . .
Li2 O1B C1B C2B -167.7(9) . .
Ti1 O1B C1B C2B -11.6(10) . .
Li2 O1B C1B C6B 16.2(14) . .
Ti1 O1B C1B C6B 172.2(8) . .
Ti1 O2B C2B C1B 14.1(12) . .
Ti1 O2B C2B C3B -169.4(9) . .
O1B C1B C2B O2B -1.3(13) . .
C6B C1B C2B O2B 175.0(9) . .
O1B C1B C2B C3B -177.8(10) . .
C6B C1B C2B C3B -1.5(16) . .
O2B C2B C3B C4B -178.0(11) . .
C1B C2B C3B C4B -1.7(18) . .
C2B C3B C4B C5B 4(2) . .
C3B C4B C5B C6B -3(2) . .
O1B C1B C6B C7B -3.7(15) . .
C2B C1B C6B C7B -179.5(9) . .
O1B C1B C6B C5B 178.5(9) . .
C2B C1B C6B C5B 2.6(15) . .
C4B C5B C6B C1B -0.5(18) . .
C4B C5B C6B C7B -178.4(12) . .
C1B C6B C7B O8B -2.8(17) . .
C5B C6B C7B O8B 174.9(11) . .
C1B C6B C7B O9B 175.3(9) . .
C5B C6B C7B O9B -7.0(14) . .
C1B C6B C7B Li2 -5.7(11) . .
C5B C6B C7B Li2 172.0(10) . .
O8E Li2 C7B O8B 82.9(11) . .
O1B Li2 C7B O8B -166.3(13) . .
O1E Li2 C7B O8B -25.6(11) . .
Ti1 Li2 C7B O8B -172.7(12) . .
O8B Li2 C7B O9B -6.6(19) . .
O8E Li2 C7B O9B 76(2) . .
O1B Li2 C7B O9B -172.9(18) . .
O1E Li2 C7B O9B -32(2) . .
Ti1 Li2 C7B O9B -179(100) . .
O8B Li2 C7B C6B 175.8(13) . .
O8E Li2 C7B C6B -101.3(8) . .
O1B Li2 C7B C6B 9.5(7) . .
O1E Li2 C7B C6B 150.2(11) . .
Ti1 Li2 C7B C6B 3.1(7) . .
O9B C7B O8B Li2 176.7(9) . .
C6B C7B O8B Li2 -5.3(16) . .
O8E Li2 O8B C7B -101.7(10) . .
O1B Li2 O8B C7B 13.1(12) . .
O1E Li2 O8B C7B 160.0(9) . .
Ti1 Li2 O8B C7B 8.5(14) . .
O8B C7B O9B C10B -1.6(14) . .
C6B C7B O9B C10B -179.9(8) . .
Li2 C7B O9B C10B 3(2) . .
C7B O9B C10B C11B -86.7(10) . .
C7B O9B C10B C15B 150.0(9) . .
O9B C10B C11B C19B 115.4(11) . .
C15B C10B C11B C19B -131.0(13) . .
O9B C10B C11B C12B -120.4(9) . .
C15B C10B C11B C12B -6.8(15) . .
C10B C11B C12B C16B 52.4(12) . .
C19B C11B C12B C16B 176.6(10) . .
C10B C11B C12B C13B -41.6(12) . .
C19B C11B C12B C13B 82.6(12) . .
C16B C12B C13B C17B -146.3(12) . .
C11B C12B C13B C17B -40.3(14) . .
C16B C12B C13B C14B -23.7(7) . .
C11B C12B C13B C14B 82.3(8) . .
C16B C12B C13B C18B 86.2(11) . .
C11B C12B C13B C18B -167.8(10) . .
C12B C13B C14B C16B 24.2(8) . .
C17B C13B C14B C16B 148.7(11) . .
C18B C13B C14B C16B -85.2(11) . .
C12B C13B C14B C15B -85.2(9) . .
C17B C13B C14B C15B 39.3(13) . .
C18B C13B C14B C15B 165.4(11) . .
O9B C10B C15B C14B 119.2(10) . .
C11B C10B C15B C14B 2.9(17) . .
C16B C14B C15B C10B -45.6(14) . .
C13B C14B C15B C10B 48.2(14) . .
C13B C14B C16B C12B -24.2(8) . .
C15B C14B C16B C12B 85.5(9) . .
C13B C12B C16B C14B 24.8(8) . .
C11B C12B C16B C14B -88.5(9) . .
O8C Li3 O1C C1C -14.6(10) . .
O8F Li3 O1C C1C 94.8(10) . .
O1F Li3 O1C C1C -145.1(11) . .
C7C Li3 O1C C1C -9.0(8) . .
Ti1 Li3 O1C C1C 161.7(10) . .
Ti2 Li3 O1C C1C -116.7(7) . .
O8C Li3 O1C Ti1 -176.3(4) . .
O8F Li3 O1C Ti1 -66.9(10) . .
O1F Li3 O1C Ti1 53.2(14) . .
C7C Li3 O1C Ti1 -170.8(4) . .
Ti2 Li3 O1C Ti1 81.6(7) . .
O2A Ti1 O1C C1C -85.8(6) . .
O2C Ti1 O1C C1C 5.7(6) . .
O2B Ti1 O1C C1C 73.8(13) . .
O1A Ti1 O1C C1C -165.0(6) . .
O1B Ti1 O1C C1C 107.8(6) . .
Li3 Ti1 O1C C1C -162.7(10) . .
Li2 Ti1 O1C C1C 108.1(7) . .
O2A Ti1 O1C Li3 76.9(7) . .
O2C Ti1 O1C Li3 168.4(7) . .
O2B Ti1 O1C Li3 -123.5(12) . .
O1A Ti1 O1C Li3 -2.3(7) . .
O1B Ti1 O1C Li3 -89.5(7) . .
Li2 Ti1 O1C Li3 -89.2(7) . .
O2A Ti1 O2C C2C 94.9(7) . .
O2B Ti1 O2C C2C -171.9(7) . .
O1C Ti1 O2C C2C -6.3(7) . .
O1A Ti1 O2C C2C 30.9(15) . .
O1B Ti1 O2C C2C -91.8(7) . .
Li3 Ti1 O2C C2C -0.5(8) . .
Li2 Ti1 O2C C2C -62.7(7) . .
Li3 O1C C1C C6C 9.9(14) . .
Ti1 O1C C1C C6C 172.9(8) . .
Li3 O1C C1C C2C -167.2(9) . .
Ti1 O1C C1C C2C -4.2(10) . .
Ti1 O2C C2C C3C -175.7(9) . .
Ti1 O2C C2C C1C 5.9(11) . .
O1C C1C C2C C3C -179.2(10) . .
C6C C1C C2C C3C 3.4(16) . .
O1C C1C C2C O2C -0.9(13) . .
C6C C1C C2C O2C -178.3(9) . .
O2C C2C C3C C4C -177.8(11) . .
C1C C2C C3C C4C 0.3(19) . .
C2C C3C C4C C5C -4(2) . .
C3C C4C C5C C6C 4(2) . .
O1C C1C C6C C7C 0.0(16) . .
C2C C1C C6C C7C 177.0(9) . .
O1C C1C C6C C5C 180.0(9) . .
C2C C1C C6C C5C -3.0(15) . .
C4C C5C C6C C1C -0.7(17) . .
C4C C5C C6C C7C 179.3(11) . .
C1C C6C C7C O8C 0.1(17) . .
C5C C6C C7C O8C -179.9(11) . .
C1C C6C C7C O9C 177.2(10) . .
C5C C6C C7C O9C -2.8(15) . .
C1C C6C C7C Li3 -6.0(11) . .
C5C C6C C7C Li3 174.0(10) . .
O8F Li3 C7C O8C 86.5(12) . .
O1C Li3 C7C O8C -162.9(13) . .
O1F Li3 C7C O8C -24.8(12) . .
Ti1 Li3 C7C O8C -167.5(13) . .
Ti2 Li3 C7C O8C -51.8(10) . .
O8C Li3 C7C O9C -16(2) . .
O8F Li3 C7C O9C 70(2) . .
O1C Li3 C7C O9C -179(2) . .
O1F Li3 C7C O9C -41(3) . .
Ti1 Li3 C7C O9C 176.0(19) . .
Ti2 Li3 C7C O9C -68(2) . .
O8C Li3 C7C C6C 170.5(14) . .
O8F Li3 C7C C6C -103.0(9) . .
O1C Li3 C7C C6C 7.6(7) . .
O1F Li3 C7C C6C 145.6(11) . .
Ti1 Li3 C7C C6C 3.0(7) . .
Ti2 Li3 C7C C6C 118.6(7) . .
O9C C7C O8C Li3 171.6(10) . .
C6C C7C O8C Li3 -11.6(17) . .
O8F Li3 O8C C7C -99.5(12) . .
O1C Li3 O8C C7C 16.6(13) . .
O1F Li3 O8C C7C 160.1(10) . .
Ti1 Li3 O8C C7C 14.4(14) . .
Ti2 Li3 O8C C7C 132.3(9) . .
O8C C7C O9C C10C 9.7(17) . .
C6C C7C O9C C10C -167.4(9) . .
Li3 C7C O9C C10C 20(3) . .
C7C O9C C10C C11C -81.8(11) . .
C7C O9C C10C C15C 155.1(10) . .
C15C C10C C11C C19C -137.5(15) . .
O9C C10C C11C C19C 109.1(12) . .
C15C C10C C11C C12C -9.9(18) . .
O9C C10C C11C C12C -123.3(10) . .
C10C C11C C12C C16C 54.8(13) . .
C19C C11C C12C C16C -178.6(13) . .
C10C C11C C12C C13C -38.3(14) . .
C19C C11C C12C C13C 88.3(14) . .
C16C C12C C13C C17C 96.1(13) . .
C11C C12C C13C C17C -159.8(12) . .
C16C C12C C13C C14C -24.0(8) . .
C11C C12C C13C C14C 80.1(10) . .
C16C C12C C13C C18C -137.1(12) . .
C11C C12C C13C C18C -33.0(15) . .
C12C C13C C14C C16C 24.5(8) . .
C17C C13C C14C C16C -97.5(13) . .
C18C C13C C14C C16C 136.7(12) . .
C12C C13C C14C C15C -83.7(9) . .
C17C C13C C14C C15C 154.3(12) . .
C18C C13C C14C C15C 28.4(14) . .
C11C C10C C15C C14C 5(2) . .
O9C C10C C15C C14C 117.4(12) . .
C16C C14C C15C C10C -45.1(15) . .
C13C C14C C15C C10C 48.1(15) . .
C13C C14C C16C C12C -24.6(8) . .
C15C C14C C16C C12C 85.4(10) . .
C13C C12C C16C C14C 25.1(8) . .
C11C C12C C16C C14C -90.3(10) . .
O8D Li1 O1D C1D -13.7(10) . .
O8A Li1 O1D C1D 98.9(11) . .
O1A Li1 O1D C1D -139.9(11) . .
C7D Li1 O1D C1D -10.8(8) . .
O8D Li1 O1D Ti2 -176.7(4) . .
O8A Li1 O1D Ti2 -64.2(10) . .
O1A Li1 O1D Ti2 57.1(13) . .
C7D Li1 O1D Ti2 -173.9(4) . .
O2E Ti2 O1D C1D 63.9(12) . .
O2D Ti2 O1D C1D 0.1(6) . .
O2F Ti2 O1D C1D -90.4(6) . .
O1E Ti2 O1D C1D 103.6(6) . .
O1F Ti2 O1D C1D -168.4(6) . .
C2E Ti2 O1D C1D 83.5(7) . .
Li3 Ti2 O1D C1D 161.7(6) . .
O2E Ti2 O1D Li1 -131.6(10) . .
O2D Ti2 O1D Li1 164.5(7) . .
O2F Ti2 O1D Li1 74.1(7) . .
O1E Ti2 O1D Li1 -91.9(6) . .
O1F Ti2 O1D Li1 -3.9(6) . .
C2E Ti2 O1D Li1 -112.0(7) . .
Li3 Ti2 O1D Li1 -33.8(6) . .
O2E Ti2 O2D C2D -164.7(8) . .
O2F Ti2 O2D C2D 103.7(8) . .
O1E Ti2 O2D C2D -84.6(8) . .
O1F Ti2 O2D C2D 39.7(16) . .
O1D Ti2 O2D C2D -1.0(8) . .
C2E Ti2 O2D C2D -140.0(8) . .
Li3 Ti2 O2D C2D -54.6(13) . .
Li1 O1D C1D C6D 11.8(14) . .
Ti2 O1D C1D C6D 176.2(8) . .
Li1 O1D C1D C2D -163.6(8) . .
Ti2 O1D C1D C2D 0.8(10) . .
Ti2 O2D C2D C3D -177.4(9) . .
Ti2 O2D C2D C1D 1.8(12) . .
O1D C1D C2D O2D -1.7(13) . .
C6D C1D C2D O2D -177.4(9) . .
O1D C1D C2D C3D 177.5(10) . .
C6D C1D C2D C3D 1.8(16) . .
O2D C2D C3D C4D -179.6(11) . .
C1D C2D C3D C4D 1.3(17) . .
C2D C3D C4D C5D -2(2) . .
C3D C4D C5D C6D 0(2) . .
O1D C1D C6D C5D -179.3(9) . .
C2D C1D C6D C5D -4.0(14) . .
O1D C1D C6D C7D -0.4(15) . .
C2D C1D C6D C7D 174.8(9) . .
C4D C5D C6D C1D 3.4(16) . .
C4D C5D C6D C7D -175.4(11) . .
C1D C6D C7D O8D -6.7(15) . .
C5D C6D C7D O8D 172.0(10) . .
C1D C6D C7D O9D 174.4(9) . .
C5D C6D C7D O9D -6.9(13) . .
C1D C6D C7D Li1 -6.6(10) . .
C5D C6D C7D Li1 172.2(9) . .
O8A Li1 C7D O8D 75.0(11) . .
O1D Li1 C7D O8D -171.4(12) . .
O1A Li1 C7D O8D -39.7(11) . .
O8D Li1 C7D O9D -1.8(16) . .
O8A Li1 C7D O9D 73.2(19) . .
O1D Li1 C7D O9D -173.3(16) . .
O1A Li1 C7D O9D -41(2) . .
O8D Li1 C7D C6D -179.8(12) . .
O8A Li1 C7D C6D -104.8(8) . .
O1D Li1 C7D C6D 8.8(6) . .
O1A Li1 C7D C6D 140.5(9) . .
O9D C7D O8D Li1 179.1(8) . .
C6D C7D O8D Li1 0.3(16) . .
O8A Li1 O8D C7D -112.2(10) . .
O1D Li1 O8D C7D 8.3(12) . .
O1A Li1 O8D C7D 147.3(9) . .
O8D C7D O9D C10D -1.8(15) . .
C6D C7D O9D C10D 177.2(9) . .
Li1 C7D O9D C10D -1(2) . .
C7D O9D C10D C11D -79.0(12) . .
C7D O9D C10D C15D 150.2(9) . .
O9D C10D C11D C19D 115.4(12) . .
C15D C10D C11D C19D -117.2(14) . .
O9D C10D C11D C12D -120.8(9) . .
C15D C10D C11D C12D 6.6(15) . .
C10D C11D C12D C16D 43.8(12) . .
C19D C11D C12D C16D 167.3(12) . .
C10D C11D C12D C13D -50.1(12) . .
C19D C11D C12D C13D 73.4(13) . .
C16D C12D C13D C14D -24.2(8) . .
C11D C12D C13D C14D 82.4(9) . .
C16D C12D C13D C17D -147.1(12) . .
C11D C12D C13D C17D -40.6(14) . .
C16D C12D C13D C18D 86.1(11) . .
C11D C12D C13D C18D -167.3(10) . .
C12D C13D C14D C16D 24.4(8) . .
C17D C13D C14D C16D 147.1(12) . .
C18D C13D C14D C16D -87.2(11) . .
C12D C13D C14D C15D -81.6(9) . .
C17D C13D C14D C15D 41.1(14) . .
C18D C13D C14D C15D 166.8(10) . .
O9D C10D C15D C14D 119.0(11) . .
C11D C10D C15D C14D -8.2(16) . .
C16D C14D C15D C10D -41.0(14) . .
C13D C14D C15D C10D 51.3(14) . .
C13D C14D C16D C12D -24.5(8) . .
C15D C14D C16D C12D 86.4(10) . .
C13D C12D C16D C14D 25.0(8) . .
C11D C12D C16D C14D -89.0(10) . .
O8B Li2 O1E C1E 86.9(11) . .
O8E Li2 O1E C1E -17.1(11) . .
O1B Li2 O1E C1E -145.5(11) . .
C7B Li2 O1E C1E 96.3(12) . .
Ti1 Li2 O1E C1E -119.1(8) . .
O8B Li2 O1E Ti2 -72.4(10) . .
O8E Li2 O1E Ti2 -176.3(4) . .
O1B Li2 O1E Ti2 55.2(14) . .
C7B Li2 O1E Ti2 -62.9(12) . .
Ti1 Li2 O1E Ti2 81.6(7) . .
O2E Ti2 O1E C1E 7.1(6) . .
O2D Ti2 O1E C1E -83.0(6) . .
O2F Ti2 O1E C1E 68.9(11) . .
O1F Ti2 O1E C1E 111.7(6) . .
O1D Ti2 O1E C1E -161.2(6) . .
C2E Ti2 O1E C1E 2.8(6) . .
Li3 Ti2 O1E C1E 110.3(7) . .
O2E Ti2 O1E Li2 168.4(7) . .
O2D Ti2 O1E Li2 78.4(7) . .
O2F Ti2 O1E Li2 -129.7(10) . .
O1F Ti2 O1E Li2 -86.9(7) . .
O1D Ti2 O1E Li2 0.2(6) . .
C2E Ti2 O1E Li2 164.2(7) . .
Li3 Ti2 O1E Li2 -88.3(7) . .
O2D Ti2 O2E C2E 93.9(8) . .
O2F Ti2 O2E C2E -172.9(8) . .
O1E Ti2 O2E C2E -8.4(8) . .
O1F Ti2 O2E C2E -93.6(8) . .
O1D Ti2 O2E C2E 32.0(14) . .
Li3 Ti2 O2E C2E -64.5(8) . .
Li2 O1E C1E C2E -165.6(9) . .
Ti2 O1E C1E C2E -4.8(10) . .
Li2 O1E C1E C6E 12.9(13) . .
Ti2 O1E C1E C6E 173.6(7) . .
Ti2 O2E C2E C1E 8.5(13) . .
Ti2 O2E C2E C3E -170.0(10) . .
O1E C1E C2E O2E -2.0(14) . .
C6E C1E C2E O2E 179.5(9) . .
O1E C1E C2E C3E 176.6(9) . .
C6E C1E C2E C3E -1.9(16) . .
O1E C1E C2E Ti2 3.4(7) . .
C6E C1E C2E Ti2 -175.1(9) . .
O2D Ti2 C2E O2E -87.4(8) . .
O2F Ti2 C2E O2E 7.9(9) . .
O1E Ti2 C2E O2E 169.9(9) . .
O1F Ti2 C2E O2E 92.7(8) . .
O1D Ti2 C2E O2E -165.5(7) . .
Li3 Ti2 C2E O2E 115.6(8) . .
O2E Ti2 C2E C1E -172.4(12) . .
O2D Ti2 C2E C1E 100.2(6) . .
O2F Ti2 C2E C1E -164.5(6) . .
O1E Ti2 C2E C1E -2.5(5) . .
O1F Ti2 C2E C1E -79.7(6) . .
O1D Ti2 C2E C1E 22.1(8) . .
Li3 Ti2 C2E C1E -56.8(6) . .
O2E Ti2 C2E C3E 28(3) . .
O2D Ti2 C2E C3E -59(3) . .
O2F Ti2 C2E C3E 36(3) . .
O1E Ti2 C2E C3E -162(3) . .
O1F Ti2 C2E C3E 121(3) . .
O1D Ti2 C2E C3E -137(3) . .
Li3 Ti2 C2E C3E 144(3) . .
O2E C2E C3E C4E -179.1(12) . .
C1E C2E C3E C4E 2.4(18) . .
Ti2 C2E C3E C4E 159(2) . .
C2E C3E C4E C5E -2(2) . .
C3E C4E C5E C6E 2(3) . .
C4E C5E C6E C7E -177.3(14) . .
C4E C5E C6E C1E -1(2) . .
O1E C1E C6E C5E -177.1(9) . .
C2E C1E C6E C5E 1.2(15) . .
O1E C1E C6E C7E -0.7(15) . .
C2E C1E C6E C7E 177.5(10) . .
C5E C6E C7E O8E 174.5(12) . .
C1E C6E C7E O8E -1.4(18) . .
C5E C6E C7E O9E -10.6(16) . .
C1E C6E C7E O9E 173.6(9) . .
O9E C7E O8E Li2 176.0(10) . .
C6E C7E O8E Li2 -10.0(19) . .
O8B Li2 O8E C7E -101.3(12) . .
O1B Li2 O8E C7E 160.5(10) . .
O1E Li2 O8E C7E 16.6(13) . .
C7B Li2 O8E C7E -121.4(11) . .
Ti1 Li2 O8E C7E 131.8(10) . .
O8E C7E O9E C10E -4.2(17) . .
C6E C7E O9E C10E -179.2(9) . .
C7E O9E C10E C11E -77.1(12) . .
C7E O9E C10E C15E 157.6(10) . .
O9E C10E C11E C19E 117.9(11) . .
C15E C10E C11E C19E -125.7(14) . .
O9E C10E C11E C12E -114.8(9) . .
C15E C10E C11E C12E 1.6(17) . .
C10E C11E C12E C16E 47.6(12) . .
C19E C11E C12E C16E 175.8(11) . .
C10E C11E C12E C13E -45.9(13) . .
C19E C11E C12E C13E 82.3(12) . .
C16E C12E C13E C17E -146.2(13) . .
C11E C12E C13E C17E -40.8(15) . .
C16E C12E C13E C14E -24.2(8) . .
C11E C12E C13E C14E 81.3(9) . .
C16E C12E C13E C18E 84.6(12) . .
C11E C12E C13E C18E -169.9(11) . .
C12E C13E C14E C16E 24.6(8) . .
C17E C13E C14E C16E 148.9(12) . .
C18E C13E C14E C16E -86.3(12) . .
C12E C13E C14E C15E -83.4(9) . .
C17E C13E C14E C15E 40.8(14) . .
C18E C13E C14E C15E 165.7(11) . .
O9E C10E C15E C14E 114.8(12) . .
C11E C10E C15E C14E -5.3(19) . .
C16E C14E C15E C10E -41.3(15) . .
C13E C14E C15E C10E 51.8(15) . .
C13E C14E C16E C12E -24.7(8) . .
C15E C14E C16E C12E 85.8(10) . .
C13E C12E C16E C14E 25.3(8) . .
C11E C12E C16E C14E -89.0(9) . .
O8C Li3 O1F C1F 87.7(10) . .
O8F Li3 O1F C1F -21.5(10) . .
O1C Li3 O1F C1F -149.1(11) . .
C7C Li3 O1F C1F 96.4(11) . .
Ti1 Li3 O1F C1F -123.8(7) . .
Ti2 Li3 O1F C1F 152.4(10) . .
O8C Li3 O1F Ti2 -64.8(10) . .
O8F Li3 O1F Ti2 -173.9(4) . .
O1C Li3 O1F Ti2 58.5(14) . .
C7C Li3 O1F Ti2 -56.0(12) . .
Ti1 Li3 O1F Ti2 83.8(7) . .
O2E Ti2 O1F C1F -77.6(6) . .
O2D Ti2 O1F C1F 77.2(13) . .
O2F Ti2 O1F C1F 11.2(6) . .
O1E Ti2 O1F C1F -156.6(6) . .
O1D Ti2 O1F C1F 117.2(6) . .
C2E Ti2 O1F C1F -103.1(6) . .
Li3 Ti2 O1F C1F -154.2(10) . .
O2E Ti2 O1F Li3 76.6(7) . .
O2D Ti2 O1F Li3 -128.6(12) . .
O2F Ti2 O1F Li3 165.5(7) . .
O1E Ti2 O1F Li3 -2.4(7) . .
O1D Ti2 O1F Li3 -88.6(7) . .
C2E Ti2 O1F Li3 51.1(7) . .
O2E Ti2 O2F C2F 90.5(7) . .
O2D Ti2 O2F C2F -177.2(7) . .
O1E Ti2 O2F C2F 30.2(14) . .
O1F Ti2 O2F C2F -13.5(7) . .
O1D Ti2 O2F C2F -97.3(7) . .
C2E Ti2 O2F C2F 87.2(7) . .
Li3 Ti2 O2F C2F -5.9(8) . .
Li3 O1F C1F C6F 16.3(14) . .
Ti2 O1F C1F C6F 170.2(8) . .
Li3 O1F C1F C2F -161.5(8) . .
Ti2 O1F C1F C2F -7.6(10) . .
Ti2 O2F C2F C3F -166.2(8) . .
Ti2 O2F C2F C1F 13.2(11) . .
O1F C1F C2F O2F -3.2(12) . .
C6F C1F C2F O2F 178.8(8) . .
O1F C1F C2F C3F 176.2(9) . .
C6F C1F C2F C3F -1.8(15) . .
O2F C2F C3F C4F -178.3(11) . .
C1F C2F C3F C4F 2.4(17) . .
C2F C3F C4F C5F -1.8(19) . .
C3F C4F C5F C6F 0.6(19) . .
O1F C1F C6F C5F -177.1(9) . .
C2F C1F C6F C5F 0.6(14) . .
O1F C1F C6F C7F 3.4(15) . .
C2F C1F C6F C7F -178.9(8) . .
C4F C5F C6F C1F 0.0(15) . .
C4F C5F C6F C7F 179.5(10) . .
C1F C6F C7F O8F -13.0(15) . .
C5F C6F C7F O8F 167.5(10) . .
C1F C6F C7F O9F 171.0(9) . .
C5F C6F C7F O9F -8.5(13) . .
O9F C7F O8F Li3 175.2(9) . .
C6F C7F O8F Li3 -0.4(16) . .
O8C Li3 O8F C7F -102.0(11) . .
O1C Li3 O8F C7F 156.7(9) . .
O1F Li3 O8F C7F 14.7(13) . .
C7C Li3 O8F C7F -122.0(10) . .
Ti1 Li3 O8F C7F 129.6(9) . .
Ti2 Li3 O8F C7F 11.0(14) . .
O8F C7F O9F C10F -0.6(14) . .
C6F C7F O9F C10F 175.5(8) . .
C7F O9F C10F C11F -81.5(10) . .
C7F O9F C10F C15F 155.6(8) . .
O9F C10F C11F C19F 121.7(13) . .
C15F C10F C11F C19F -124.6(15) . .
O9F C10F C11F C12F -110.3(10) . .
C15F C10F C11F C12F 3.4(16) . .
C10F C11F C12F C16F 48.9(12) . .
C19F C11F C12F C16F 176.0(13) . .
C10F C11F C12F C13F -45.0(13) . .
C19F C11F C12F C13F 82.2(15) . .
C16F C12F C13F C17F -146.1(11) . .
C11F C12F C13F C17F -40.3(14) . .
C16F C12F C13F C14F -24.3(7) . .
C11F C12F C13F C14F 81.4(9) . .
C16F C12F C13F C18F 84.1(11) . .
C11F C12F C13F C18F -170.2(10) . .
C11F C12F C13F C16F 105.7(10) . .
C12F C13F C14F C16F 24.5(7) . .
C17F C13F C14F C16F 148.1(10) . .
C18F C13F C14F C16F -87.3(10) . .
C12F C13F C14F C15F -84.6(8) . .
C17F C13F C14F C15F 39.0(12) . .
C18F C13F C14F C15F 163.7(10) . .
C16F C13F C14F C15F -109.1(9) . .
O9F C10F C15F C14F 105.3(10) . .
C11F C10F C15F C14F -9.8(17) . .
C16F C14F C15F C10F -36.1(14) . .
C13F C14F C15F C10F 55.8(13) . .
C13F C14F C16F C12F -24.6(7) . .
C15F C14F C16F C12F 83.0(10) . .
C15F C14F C16F C13F 107.5(9) . .
C13F C12F C16F C14F 25.2(8) . .
C11F C12F C16F C14F -89.8(9) . .
C11F C12F C16F C13F -115.0(9) . .
C12F C13F C16F C14F -145.1(11) . .
C17F C13F C16F C14F -69(2) . .
C18F C13F C16F C14F 105.1(11) . .
C17F C13F C16F C12F 76(2) . .
C14F C13F C16F C12F 145.1(11) . .
C18F C13F C16F C12F -109.8(11) . .
O8H Li5 Ti3 O2G 14.8(7) . 3_665
O1G Li5 Ti3 O2G -108.3(7) . 3_665
O8G Li5 Ti3 O2G -103.2(8) . 3_665
O1H Li5 Ti3 O2G 112.3(7) . 3_665
Li5 Li5 Ti3 O2G 108.2(4) 3_665 3_665
Li5 Li5 Ti3 O2G 179.6(4) 2_655 3_665
O8H Li5 Ti3 O2G -94.5(11) . 2_655
O1G Li5 Ti3 O2G 142.5(8) . 2_655
O8G Li5 Ti3 O2G 147.6(8) . 2_655
O1H Li5 Ti3 O2G 3.0(14) . 2_655
Li5 Li5 Ti3 O2G -1.0(10) 3_665 2_655
Li5 Li5 Ti3 O2G 70.4(11) 2_655 2_655
O8H Li5 Ti3 O2G 109.8(6) . .
O1G Li5 Ti3 O2G -13.2(8) . .
O8G Li5 Ti3 O2G -8.1(9) . .
O1H Li5 Ti3 O2G -152.7(6) . .
Li5 Li5 Ti3 O2G -156.7(4) 3_665 .
Li5 Li5 Ti3 O2G -85.3(4) 2_655 .
O8H Li5 Ti3 O1G -60.0(6) . 3_665
O1G Li5 Ti3 O1G 177.0(8) . 3_665
O8G Li5 Ti3 O1G -177.9(10) . 3_665
O1H Li5 Ti3 O1G 37.5(6) . 3_665
Li5 Li5 Ti3 O1G 33.5(4) 3_665 3_665
Li5 Li5 Ti3 O1G 104.8(4) 2_655 3_665
O8H Li5 Ti3 O1G 123.0(11) . .
O8G Li5 Ti3 O1G 5.1(6) . .
O1H Li5 Ti3 O1G -139.5(12) . .
Li5 Li5 Ti3 O1G -143.5(7) 3_665 .
Li5 Li5 Ti3 O1G -72.1(9) 2_655 .
O8H Li5 Ti3 O1G -148.0(7) . 2_655
O1G Li5 Ti3 O1G 89.0(6) . 2_655
O8G Li5 Ti3 O1G 94.1(8) . 2_655
O1H Li5 Ti3 O1G -50.5(7) . 2_655
Li5 Li5 Ti3 O1G -54.5(4) 3_665 2_655
Li5 Li5 Ti3 O1G 16.9(4) 2_655 2_655
O8H Li5 Ti3 Li5 -93.5(9) . 3_665
O1G Li5 Ti3 Li5 143.5(7) . 3_665
O8G Li5 Ti3 Li5 148.6(9) . 3_665
O1H Li5 Ti3 Li5 4.0(5) . 3_665
Li5 Li5 Ti3 Li5 71.4(2) 2_655 3_665
O8H Li5 Ti3 Li5 -164.8(8) . 2_655
O1G Li5 Ti3 Li5 72.1(9) . 2_655
O8G Li5 Ti3 Li5 77.2(10) . 2_655
O1H Li5 Ti3 Li5 -67.4(4) . 2_655
Li5 Li5 Ti3 Li5 -71.4(2) 3_665 2_655
O8H Li5 O1G C1G 88.4(12) . .
O8G Li5 O1G C1G -19.9(11) . .
O1H Li5 O1G C1G -145.5(12) . .
Ti3 Li5 O1G C1G 155.9(12) . .
Li5 Li5 O1G C1G -173.4(8) 3_665 .
Li5 Li5 O1G C1G -117.3(9) 2_655 .
O8H Li5 O1G Ti3 -67.5(11) . .
O8G Li5 O1G Ti3 -175.7(5) . .
O1H Li5 O1G Ti3 58.6(14) . .
Li5 Li5 O1G Ti3 30.7(6) 3_665 .
Li5 Li5 O1G Ti3 86.9(6) 2_655 .
O2G Ti3 O1G C1G -82.3(7) 3_665 .
O2G Ti3 O1G C1G 76.6(13) 2_655 .
O2G Ti3 O1G C1G 8.9(6) . .
O1G Ti3 O1G C1G -160.9(7) 3_665 .
O1G Ti3 O1G C1G 112.6(8) 2_655 .
Li5 Ti3 O1G C1G 169.9(7) 3_665 .
Li5 Ti3 O1G C1G -158.3(11) . .
Li5 Ti3 O1G C1G 111.1(7) 2_655 .
O2G Ti3 O1G Li5 76.1(7) 3_665 .
O2G Ti3 O1G Li5 -125.0(12) 2_655 .
O2G Ti3 O1G Li5 167.3(7) . .
O1G Ti3 O1G Li5 -2.5(7) 3_665 .
O1G Ti3 O1G Li5 -89.1(6) 2_655 .
Li5 Ti3 O1G Li5 -31.8(7) 3_665 .
Li5 Ti3 O1G Li5 -90.6(10) 2_655 .
O2G Ti3 O2G C2G 92.1(9) 3_665 .
O2G Ti3 O2G C2G -174.2(8) 2_655 .
O1G Ti3 O2G C2G 26.4(15) 3_665 .
O1G Ti3 O2G C2G -10.2(7) . .
O1G Ti3 O2G C2G -94.0(7) 2_655 .
Li5 Ti3 O2G C2G -64.8(12) 3_665 .
Li5 Ti3 O2G C2G -3.7(8) . .
Li5 Ti3 O2G C2G -65.7(8) 2_655 .
Li5 O1G C1G C6G 19.1(15) . .
Ti3 O1G C1G C6G 176.3(8) . .
Li5 O1G C1G C2G -163.6(9) . .
Ti3 O1G C1G C2G -6.3(10) . .
Ti3 O2G C2G C3G -173.1(9) . .
Ti3 O2G C2G C1G 9.8(12) . .
O1G C1G C2G C3G -178.9(10) . .
C6G C1G C2G C3G -1.5(16) . .
O1G C1G C2G O2G -1.7(13) . .
C6G C1G C2G O2G 175.7(9) . .
O2G C2G C3G C4G -177.4(11) . .
C1G C2G C3G C4G -0.5(18) . .
C2G C3G C4G C5G 0(2) . .
C3G C4G C5G C6G 2(2) . .
O1G C1G C6G C7G -4.4(17) . .
C2G C1G C6G C7G 178.5(9) . .
O1G C1G C6G C5G -179.7(10) . .
C2G C1G C6G C5G 3.1(15) . .
C4G C5G C6G C1G -3.3(18) . .
C4G C5G C6G C7G -178.7(12) . .
C1G C6G C7G O8G -3.8(17) . .
C5G C6G C7G O8G 171.2(11) . .
C1G C6G C7G O9G 174.9(10) . .
C5G C6G C7G O9G -10.1(15) . .
O9G C7G O8G Li5 177.2(9) . .
C6G C7G O8G Li5 -4.1(17) . .
O8H Li5 O8G C7G -106.0(11) . .
O1G Li5 O8G C7G 13.3(12) . .
O1H Li5 O8G C7G 156.4(9) . .
Ti3 Li5 O8G C7G 10.7(14) . .
Li5 Li5 O8G C7G 96.7(15) 3_665 .
Li5 Li5 O8G C7G 68.1(9) 2_655 .
O8G C7G O9G C10G -5.1(15) . .
C6G C7G O9G C10G 176.0(9) . .
C7G O9G C10G C11G -85.0(10) . .
C7G O9G C10G C15G 149.1(9) . .
O9G C10G C11G C19G 105.2(10) . .
C15G C10G C11G C19G -135.9(11) . .
O9G C10G C11G C12G -129.2(8) . .
C15G C10G C11G C12G -10.3(13) . .
C10G C11G C12G C16G 53.7(10) . .
C19G C11G C12G C16G -179.9(10) . .
C10G C11G C12G C13G -40.8(11) . .
C19G C11G C12G C13G 85.6(11) . .
C16G C12G C13G C17G -143.6(10) . .
C11G C12G C13G C17G -37.2(12) . .
C16G C12G C13G C14G -23.4(7) . .
C11G C12G C13G C14G 82.9(8) . .
C16G C12G C13G C18G 87.6(10) . .
C11G C12G C13G C18G -166.0(9) . .
C12G C13G C14G C16G 23.9(7) . .
C17G C13G C14G C16G 149.7(10) . .
C18G C13G C14G C16G -86.9(10) . .
C12G C13G C14G C15G -84.2(8) . .
C17G C13G C14G C15G 41.7(12) . .
C18G C13G C14G C15G 165.1(9) . .
O9G C10G C15G C14G 127.2(9) . .
C11G C10G C15G C14G 7.6(14) . .
C16G C14G C15G C10G -48.9(11) . .
C13G C14G C15G C10G 44.9(12) . .
C13G C14G C16G C12G -23.9(7) . .
C15G C14G C16G C12G 86.3(9) . .
C13G C12G C16G C14G 24.4(7) . .
C11G C12G C16G C14G -89.1(9) . .
O8H Li5 O1H C1H -15.2(12) . .
O1G Li5 O1H C1H -149.5(11) . .
O8G Li5 O1H C1H 91.7(11) . .
Ti3 Li5 O1H C1H -119.8(8) . .
Li5 Li5 O1H C1H -115.7(8) 3_665 .
Li5 Li5 O1H C1H -172.3(8) 2_655 .
O8H Li5 O1H Ti4 -174.0(5) . .
O1G Li5 O1H Ti4 51.7(15) . .
O8G Li5 O1H Ti4 -67.0(10) . .
Ti3 Li5 O1H Ti4 81.4(7) . .
Li5 Li5 O1H Ti4 85.5(7) 3_665 .
Li5 Li5 O1H Ti4 28.9(6) 2_655 .
O2H Ti4 O1H C1H 9.4(7) . .
O2H Ti4 O1H C1H -82.6(7) 2_655 .
O2H Ti4 O1H C1H 77.6(14) 3_665 .
O1H Ti4 O1H C1H 112.3(8) 3_665 .
O1H Ti4 O1H C1H -160.7(7) 2_655 .
O2H Ti4 O1H Li5 170.3(8) . .
O2H Ti4 O1H Li5 78.3(8) 2_655 .
O2H Ti4 O1H Li5 -121.6(13) 3_665 .
O1H Ti4 O1H Li5 -86.8(6) 3_665 .
O1H Ti4 O1H Li5 0.2(7) 2_655 .
O2H Ti4 O2H C2H 91.7(11) 2_655 .
O2H Ti4 O2H C2H -173.7(9) 3_665 .
O1H Ti4 O2H C2H -9.7(9) . .
O1H Ti4 O2H C2H -94.0(9) 3_665 .
O1H Ti4 O2H C2H 25.7(18) 2_655 .
Li5 O1H C1H C2H -167.6(10) . .
Ti4 O1H C1H C2H -7.4(11) . .
Li5 O1H C1H C6H 10.7(16) . .
Ti4 O1H C1H C6H 170.9(9) . .
Ti4 O2H C2H C1H 8.8(15) . .
Ti4 O2H C2H C3H -170.1(10) . .
O1H C1H C2H O2H -0.3(15) . .
C6H C1H C2H O2H -178.7(11) . .
O1H C1H C2H C3H 178.6(11) . .
C6H C1H C2H C3H 0.2(18) . .
O2H C2H C3H C4H 177.7(13) . .
C1H C2H C3H C4H -1(2) . .
C2H C3H C4H C5H 0(2) . .
C3H C4H C5H C6H 2(2) . .
C4H C5H C6H C1H -2.8(18) . .
C4H C5H C6H C7H 179.5(12) . .
O1H C1H C6H C5H -176.4(10) . .
C2H C1H C6H C5H 1.8(17) . .
O1H C1H C6H C7H 1.2(18) . .
C2H C1H C6H C7H 179.4(11) . .
C5H C6H C7H O8H 173.9(11) . .
C1H C6H C7H O8H -3.6(19) . .
C5H C6H C7H O9H -11.7(17) . .
C1H C6H C7H O9H 170.7(11) . .
O9H C7H O8H Li5 178.5(11) . .
C6H C7H O8H Li5 -7.6(19) . .
O1G Li5 O8H C7H 160.8(11) . .
O8G Li5 O8H C7H -98.9(12) . .
O1H Li5 O8H C7H 14.4(14) . .
Ti3 Li5 O8H C7H 131.2(10) . .
Li5 Li5 O8H C7H 71.0(11) 3_665 .
Li5 Li5 O8H C7H 96.3(17) 2_655 .
O8H C7H O9H C10H 3(2) . .
C6H C7H O9H C10H -171.6(12) . .
C7H O9H C10H C11H -75.6(18) . .
C7H O9H C10H C15H 155.6(14) . .
O9H C10H C11H C19H 123.5(17) . .
C15H C10H C11H C19H -117(2) . .
O9H C10H C11H C12H -110.6(16) . .
C15H C10H C11H C12H 9(2) . .
C10H C11H C12H C16H 42(2) . .
C19H C11H C12H C16H 171(2) . .
C10H C11H C12H C13H -46(2) . .
C19H C11H C12H C13H 83(2) . .
C16H C12H C13H C17H -141(3) . .
C11H C12H C13H C17H -44(4) . .
C16H C12H C13H C14H -19.0(19) . .
C11H C12H C13H C14H 77.4(19) . .
C16H C12H C13H C18H 99(3) . .
C11H C12H C13H C18H -164(2) . .
C11H C12H C13H C16H 96(2) . .
C17H C13H C14H C16H 158(2) . .
C12H C13H C14H C16H 19.5(19) . .
C18H C13H C14H C16H -96(3) . .
C17H C13H C14H C15H 53(3) . .
C12H C13H C14H C15H -85(2) . .
C18H C13H C14H C15H 159(2) . .
C16H C13H C14H C15H -105(2) . .
C11H C10H C15H C14H -11(2) . .
O9H C10H C15H C14H 110.3(17) . .
C16H C14H C15H C10H -40(2) . .
C13H C14H C15H C10H 54(2) . .
C13H C14H C16H C12H -19.6(19) . .
C15H C14H C16H C12H 92.5(19) . .
C15H C14H C16H C13H 112(2) . .
C13H C12H C16H C14H 19.1(19) . .
C11H C12H C16H C14H -89.0(19) . .
C11H C12H C16H C13H -108.1(19) . .
C17H C13H C16H C14H -47(5) . .
C12H C13H C16H C14H -153(3) . .
C18H C13H C16H C14H 106(3) . .
C17H C13H C16H C12H 106(5) . .
C14H C13H C16H C12H 153(3) . .
C18H C13H C16H C12H -102(3) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.576 3741 326 ' '
2 -0.003 0.518 0.546 27 2 ' '
3 0.333 0.667 0.243 3740 325 ' '
4 0.031 0.274 0.241 29 2 ' '
5 0.016 0.397 0.413 12 1 ' '
6 0.048 0.317 0.746 11 1 ' '
7 0.059 0.424 0.908 29 2 ' '
8 0.055 0.227 0.239 6 0 ' '
9 0.106 0.494 0.906 7 0 ' '
10 0.149 0.813 0.880 26 2 ' '
11 0.187 0.336 0.880 26 2 ' '
12 0.178 0.947 0.241 8 1 ' '
13 0.246 0.970 0.241 28 2 ' '
14 0.269 0.952 0.746 11 1 ' '
15 0.331 0.184 0.213 26 2 ' '
16 0.667 0.333 0.909 3744 325 ' '
17 0.349 0.064 0.080 12 1 ' '
18 0.364 0.941 0.908 29 2 ' '
19 0.393 0.090 0.574 29 2 ' '
20 0.381 0.984 0.413 12 1 ' '
21 0.388 0.894 0.906 6 0 ' '
22 0.440 0.161 0.573 7 0 ' '
23 0.482 0.480 0.546 26 2 ' '
24 0.520 1.003 0.546 27 2 ' '
25 0.511 0.614 0.908 8 0 ' '
26 0.579 0.636 0.907 28 2 ' '
27 0.603 0.618 0.413 12 1 ' '
28 0.664 0.851 0.880 26 2 ' '
29 0.698 0.607 0.574 29 2 ' '
30 0.682 0.731 0.746 11 1 ' '
31 0.715 0.651 0.080 12 1 ' '
32 0.726 0.757 0.241 29 2 ' '
33 0.721 0.560 0.573 6 0 ' '
34 0.773 0.828 0.239 7 0 ' '
35 0.816 0.146 0.213 26 2 ' '
36 0.854 0.669 0.213 26 2 ' '
37 0.844 0.281 0.574 8 1 ' '
38 0.912 0.303 0.574 28 2 ' '
39 0.936 0.285 0.080 12 1 ' '
