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#$Date: 2016-03-22 12:28:27 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178951 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/80/4118076.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_4118076
loop_
_publ_author_name
'Saskia Lupart'
'Giuliano Gregori'
'Joachim Maier'
'Wolfgang Schnick'
_publ_contact_author_address
;  Department of Chemistry
   Ludwig-Maximilians-Universitaet Muenchen
   Butenandtstr. 5-13 (D)
   D-81377 Muenchen, Germany
;
_publ_contact_author_email       wolfgang.schnick@uni-muenchen.de
_publ_contact_author_fax         +49/89/2180-77440
_publ_contact_author_name        'Prof. Dr. Wolfgang Schnick'
_publ_contact_author_phone       +49/89/2180-77436
_publ_section_title
;
 Li14Ln5[Si11N19O5]O2F2 with Ln = Ce, Nd - Representatives of a Family of
 Potential Lithium Ion Conductors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10132
_journal_page_last               10137
_journal_paper_doi               10.1021/ja302255d
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'Ce5 F2 Li14 N19 O7 Si11'
_chemical_formula_weight         1522.94
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_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                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.198(3)
_cell_length_b                   7.6587(15)
_cell_length_c                   10.144(2)
_cell_measurement_reflns_used    5776
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.4
_cell_measurement_theta_min      2.3
_cell_volume                     1336.1(4)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        X-AREA
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Stoe IPDS 1'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0872
_diffrn_reflns_av_sigmaI/netI    0.0645
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10928
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.91
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.928
_exptl_absorpt_correction_T_max  0.276
_exptl_absorpt_correction_T_min  0.218
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
XPREP (Shgeldrick, 2008)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.785
_exptl_crystal_description       block
_exptl_crystal_F_000             1386
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.672
_refine_diff_density_min         -2.967
_refine_diff_density_rms         0.294
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.876
_refine_ls_matrix_type           full
_refine_ls_number_parameters     144
_refine_ls_number_reflns         1606
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.876
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0572P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.0971
_reflns_number_gt                1034
_reflns_number_total             1606
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja302255d_si_002.cif
_cod_data_source_block           Li14Ce5[Si4N19O5]O2F
_cod_original_cell_volume        1336.1(5)
_cod_original_sg_symbol_H-M      'P m m n'
_cod_database_code               4118076
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'
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
Ce1 Ce 0.7500 -0.2500 1.17927(14) 0.0253(3) Uani 1 4 d S
Ce2 Ce 0.7500 0.00139(14) 0.72928(7) 0.01348(19) Uani 1 2 d S
Ce3 Ce 0.5000 0.0000 1.0000 0.01148(18) Uani 1 2 d S
Si1 Si 0.7500 0.2500 0.2643(5) 0.0134(11) Uani 1 4 d S
Si2 Si 0.6592(2) 0.2500 0.5240(4) 0.0110(8) Uani 1 2 d S
Si3 Si 0.64875(19) -0.2500 0.9167(3) 0.0097(7) Uani 1 2 d S
Si4 Si 0.56198(13) -0.0462(3) 0.6946(2) 0.0080(5) Uani 1 1 d .
Si5 Si 0.5723(2) -0.2500 1.2307(4) 0.0106(8) Uani 1 2 d S
N1 N 0.3798(4) 0.0591(10) 0.1610(7) 0.0088(15) Uani 1 1 d .
N2 N 0.5385(6) -0.2500 0.6362(11) 0.011(2) Uani 1 2 d S
N3 N 0.2500 0.2500 0.0739(15) 0.014(4) Uani 1 4 d S
N4 N 0.6079(6) -0.2500 1.0704(12) 0.014(2) Uani 1 2 d S
N5 N 0.6634(6) 0.2500 0.3549(11) 0.010(2) Uani 1 2 d S
N6 N 0.6142(4) 0.0623(12) 0.5774(8) 0.0177(19) Uani 1 1 d .
N7 N 0.4790(5) 0.0604(14) -0.2536(8) 0.022(2) Uani 1 1 d .
O1 O 0.2500 -0.2500 -0.5912(15) 0.019(3) Uani 1 4 d S
O2 O 0.3513(6) 0.2500 -0.3335(10) 0.025(3) Uani 1 2 d S
O3 O 0.7500 0.0779(16) 0.1611(10) 0.022(2) Uani 1 2 d S
O1O O 0.7500 0.2500 0.8845(15) 0.027(3) Uani 0.50 4 d SP
F1F F 0.7500 0.2500 0.8845(15) 0.027(3) Uani 0.50 4 d SP
O2O O 0.5821(5) 0.2500 0.0373(10) 0.020(2) Uani 0.50 2 d SP
F2F F 0.5821(5) 0.2500 0.0373(10) 0.020(2) Uani 0.50 2 d SP
O3O O 0.2500 0.2500 -0.5963(14) 0.024(3) Uani 0.50 4 d SP
F3F F 0.2500 0.2500 -0.5963(14) 0.024(3) Uani 0.50 4 d SP
Li1 Li 0.5120(15) 0.2500 -0.457(3) 0.028(6) Uiso 1 2 d S
Li2 Li 0.5676(18) 0.2500 0.238(3) 0.033(7) Uiso 1 2 d S
Li3 Li 0.3516(18) 0.2500 -0.531(3) 0.035(7) Uiso 1 2 d S
Li4 Li 0.3880(11) -0.004(4) -0.3750(19) 0.033(4) Uiso 1 1 d .
Li5 Li 0.3260(16) -0.099(5) -0.021(3) 0.059(7) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 '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
O2 Ce1 O2 96.2(5) 6_656 5_656
O2 Ce1 O3 92.80(16) 6_656 2_646
O2 Ce1 O3 92.80(16) 5_656 2_646
O2 Ce1 O3 92.80(16) 6_656 1_556
O2 Ce1 O3 92.80(16) 5_656 1_556
O3 Ce1 O3 171.6(5) 2_646 1_556
O2 Ce1 N3 131.9(3) 6_656 5_656
O2 Ce1 N3 131.9(3) 5_656 5_656
O3 Ce1 N3 85.8(2) 2_646 5_656
O3 Ce1 N3 85.8(2) 1_556 5_656
O2 Ce1 N4 162.4(4) 6_656 .
O2 Ce1 N4 66.2(4) 5_656 .
O3 Ce1 N4 88.28(10) 2_646 .
O3 Ce1 N4 88.28(10) 1_556 .
N3 Ce1 N4 65.7(2) 5_656 .
O2 Ce1 N4 66.2(4) 6_656 2_645
O2 Ce1 N4 162.4(4) 5_656 2_645
O3 Ce1 N4 88.28(10) 2_646 2_645
O3 Ce1 N4 88.28(10) 1_556 2_645
N3 Ce1 N4 65.7(2) 5_656 2_645
N4 Ce1 N4 131.3(5) . 2_645
O2 Ce1 Si5 128.4(3) 6_656 .
O2 Ce1 Si5 32.2(3) 5_656 .
O3 Ce1 Si5 90.70(4) 2_646 .
O3 Ce1 Si5 90.70(4) 1_556 .
N3 Ce1 Si5 99.69(7) 5_656 .
N4 Ce1 Si5 34.0(3) . .
N4 Ce1 Si5 165.4(3) 2_645 .
O2 Ce1 Si5 32.2(3) 6_656 2_645
O2 Ce1 Si5 128.4(3) 5_656 2_645
O3 Ce1 Si5 90.70(4) 2_646 2_645
O3 Ce1 Si5 90.70(4) 1_556 2_645
N3 Ce1 Si5 99.69(7) 5_656 2_645
N4 Ce1 Si5 165.4(3) . 2_645
N4 Ce1 Si5 34.0(3) 2_645 2_645
Si5 Ce1 Si5 160.61(14) . 2_645
O2 Ce1 Si3 165.1(3) 6_656 .
O2 Ce1 Si3 98.7(3) 5_656 .
O3 Ce1 Si3 86.5(2) 2_646 .
O3 Ce1 Si3 86.5(2) 1_556 .
N3 Ce1 Si3 33.17(6) 5_656 .
N4 Ce1 Si3 32.5(2) . .
N4 Ce1 Si3 98.8(3) 2_645 .
Si5 Ce1 Si3 66.52(9) . .
Si5 Ce1 Si3 132.86(10) 2_645 .
O2 Ce1 Si3 98.7(3) 6_656 2_645
O2 Ce1 Si3 165.1(3) 5_656 2_645
O3 Ce1 Si3 86.5(2) 2_646 2_645
O3 Ce1 Si3 86.5(2) 1_556 2_645
N3 Ce1 Si3 33.17(6) 5_656 2_645
N4 Ce1 Si3 98.8(3) . 2_645
N4 Ce1 Si3 32.5(2) 2_645 2_645
Si5 Ce1 Si3 132.86(10) . 2_645
Si5 Ce1 Si3 66.52(9) 2_645 2_645
Si3 Ce1 Si3 66.34(13) . 2_645
O2 Ce1 Li5 127.2(5) 6_656 3_646
O2 Ce1 Li5 91.7(5) 5_656 3_646
O3 Ce1 Li5 34.6(6) 2_646 3_646
O3 Ce1 Li5 139.0(6) 1_556 3_646
N3 Ce1 Li5 61.7(5) 5_656 3_646
N4 Ce1 Li5 56.8(5) . 3_646
N4 Ce1 Li5 99.0(5) 2_645 3_646
Si5 Ce1 Li5 72.5(5) . 3_646
Si5 Ce1 Li5 117.4(5) 2_645 3_646
Si3 Ce1 Li5 52.5(5) . 3_646
Si3 Ce1 Li5 79.3(5) 2_645 3_646
F3F Ce2 O3O 0.0 5_655 5_655
F3F Ce2 O1 108.7(4) 5_655 5_655
O3O Ce2 O1 108.7(4) 5_655 5_655
F3F Ce2 O1O 175.4(4) 5_655 .
O3O Ce2 O1O 175.4(4) 5_655 .
O1 Ce2 O1O 75.9(4) 5_655 .
F3F Ce2 N1 95.9(2) 5_655 4_556
O3O Ce2 N1 95.9(2) 5_655 4_556
O1 Ce2 N1 114.02(19) 5_655 4_556
O1O Ce2 N1 82.0(2) . 4_556
F3F Ce2 N1 95.9(2) 5_655 5_656
O3O Ce2 N1 95.9(2) 5_655 5_656
O1 Ce2 N1 114.02(19) 5_655 5_656
O1O Ce2 N1 82.0(2) . 5_656
N1 Ce2 N1 123.3(3) 4_556 5_656
F3F Ce2 N3 81.1(3) 5_655 5_656
O3O Ce2 N3 81.1(3) 5_655 5_656
O1 Ce2 N3 170.3(4) 5_655 5_656
O1O Ce2 N3 94.4(4) . 5_656
N1 Ce2 N3 63.73(18) 4_556 5_656
N1 Ce2 N3 63.73(18) 5_656 5_656
F3F Ce2 N6 79.8(2) 5_655 .
O3O Ce2 N6 79.8(2) 5_655 .
O1 Ce2 N6 63.0(2) 5_655 .
O1O Ce2 N6 102.7(2) . .
N1 Ce2 N6 173.1(2) 4_556 .
N1 Ce2 N6 62.9(2) 5_656 .
N3 Ce2 N6 120.34(18) 5_656 .
F3F Ce2 N6 79.8(2) 5_655 8_755
O3O Ce2 N6 79.8(2) 5_655 8_755
O1 Ce2 N6 63.0(2) 5_655 8_755
O1O Ce2 N6 102.7(2) . 8_755
N1 Ce2 N6 62.9(2) 4_556 8_755
N1 Ce2 N6 173.1(2) 5_656 8_755
N3 Ce2 N6 120.34(18) 5_656 8_755
N6 Ce2 N6 110.9(3) . 8_755
F3F Ce2 Si3 81.3(2) 5_655 .
O3O Ce2 Si3 81.3(2) 5_655 .
O1 Ce2 Si3 146.31(8) 5_655 .
O1O Ce2 Si3 94.9(2) . .
N1 Ce2 Si3 96.18(18) 4_556 .
N1 Ce2 Si3 32.36(18) 5_656 .
N3 Ce2 Si3 32.79(6) 5_656 .
N6 Ce2 Si3 88.49(18) . .
N6 Ce2 Si3 149.87(18) 8_755 .
F3F Ce2 Si3 81.3(2) 5_655 2_645
O3O Ce2 Si3 81.3(2) 5_655 2_645
O1 Ce2 Si3 146.31(8) 5_655 2_645
O1O Ce2 Si3 94.9(2) . 2_645
N1 Ce2 Si3 32.36(18) 4_556 2_645
N1 Ce2 Si3 96.18(18) 5_656 2_645
N3 Ce2 Si3 32.79(6) 5_656 2_645
N6 Ce2 Si3 149.87(19) . 2_645
N6 Ce2 Si3 88.49(18) 8_755 2_645
Si3 Ce2 Si3 65.53(11) . 2_645
F2F Ce3 O2O 0.0(3) 5_656 5_656
F2F Ce3 F2F 180.0(5) 5_656 1_556
O2O Ce3 F2F 180.0(5) 5_656 1_556
F2F Ce3 O2O 180.0(5) 5_656 1_556
O2O Ce3 O2O 180.0(5) 5_656 1_556
F2F Ce3 O2O 0.0(5) 1_556 1_556
F2F Ce3 N7 84.6(3) 5_656 1_556
O2O Ce3 N7 84.6(3) 5_656 1_556
F2F Ce3 N7 95.4(3) 1_556 1_556
O2O Ce3 N7 95.4(3) 1_556 1_556
F2F Ce3 N7 95.4(3) 5_656 5_656
O2O Ce3 N7 95.4(3) 5_656 5_656
F2F Ce3 N7 84.6(3) 1_556 5_656
O2O Ce3 N7 84.6(3) 1_556 5_656
N7 Ce3 N7 180.000(1) 1_556 5_656
F2F Ce3 N1 102.9(3) 5_656 5_656
O2O Ce3 N1 102.9(3) 5_656 5_656
F2F Ce3 N1 77.1(3) 1_556 5_656
O2O Ce3 N1 77.1(3) 1_556 5_656
N7 Ce3 N1 62.6(2) 1_556 5_656
N7 Ce3 N1 117.4(2) 5_656 5_656
F2F Ce3 N1 77.1(3) 5_656 1_556
O2O Ce3 N1 77.1(3) 5_656 1_556
F2F Ce3 N1 102.9(3) 1_556 1_556
O2O Ce3 N1 102.9(3) 1_556 1_556
N7 Ce3 N1 117.4(2) 1_556 1_556
N7 Ce3 N1 62.6(2) 5_656 1_556
N1 Ce3 N1 180.000(1) 5_656 1_556
F2F Ce3 N4 96.7(2) 5_656 5_657
O2O Ce3 N4 96.7(2) 5_656 5_657
F2F Ce3 N4 83.3(2) 1_556 5_657
O2O Ce3 N4 83.3(2) 1_556 5_657
N7 Ce3 N4 62.2(3) 1_556 5_657
N7 Ce3 N4 117.8(3) 5_656 5_657
N1 Ce3 N4 118.6(3) 5_656 5_657
N1 Ce3 N4 61.4(3) 1_556 5_657
F2F Ce3 N4 83.3(2) 5_656 .
O2O Ce3 N4 83.3(2) 5_656 .
F2F Ce3 N4 96.7(2) 1_556 .
O2O Ce3 N4 96.7(2) 1_556 .
N7 Ce3 N4 117.8(3) 1_556 .
N7 Ce3 N4 62.2(3) 5_656 .
N1 Ce3 N4 61.4(3) 5_656 .
N1 Ce3 N4 118.6(3) 1_556 .
N4 Ce3 N4 180.0(5) 5_657 .
F2F Ce3 Li5 39.4(7) 5_656 1_556
O2O Ce3 Li5 39.4(7) 5_656 1_556
F2F Ce3 Li5 140.6(7) 1_556 1_556
O2O Ce3 Li5 140.6(7) 1_556 1_556
N7 Ce3 Li5 81.0(6) 1_556 1_556
N7 Ce3 Li5 99.0(6) 5_656 1_556
N1 Ce3 Li5 131.6(6) 5_656 1_556
N1 Ce3 Li5 48.4(6) 1_556 1_556
N4 Ce3 Li5 60.2(7) 5_657 1_556
N4 Ce3 Li5 119.8(7) . 1_556
F2F Ce3 Li5 140.6(7) 5_656 5_656
O2O Ce3 Li5 140.6(7) 5_656 5_656
F2F Ce3 Li5 39.4(7) 1_556 5_656
O2O Ce3 Li5 39.4(7) 1_556 5_656
N7 Ce3 Li5 99.0(6) 1_556 5_656
N7 Ce3 Li5 81.0(6) 5_656 5_656
N1 Ce3 Li5 48.4(6) 5_656 5_656
N1 Ce3 Li5 131.6(6) 1_556 5_656
N4 Ce3 Li5 119.8(7) 5_657 5_656
N4 Ce3 Li5 60.2(7) . 5_656
Li5 Ce3 Li5 180.000(2) 1_556 5_656
O3 Si1 O3 103.1(8) 2_655 .
O3 Si1 N5 109.1(3) 2_655 2_655
O3 Si1 N5 109.1(3) . 2_655
O3 Si1 N5 109.1(3) 2_655 .
O3 Si1 N5 109.1(3) . .
N5 Si1 N5 116.6(8) 2_655 .
O3 Si1 Li5 77.9(8) 2_655 5_655
N5 Si1 Li5 142.8(7) 2_655 5_655
N5 Si1 Li5 93.5(6) . 5_655
O3 Si1 Li5 77.9(8) . 3_655
N5 Si1 Li5 142.8(7) 2_655 3_655
N5 Si1 Li5 93.5(6) . 3_655
O3 Si1 Li5 77.9(8) 2_655 4
N5 Si1 Li5 93.5(6) 2_655 4
N5 Si1 Li5 142.8(7) . 4
Li5 Si1 Li5 51.2(11) 5_655 4
Li5 Si1 Li5 70.4(12) 3_655 4
O3 Si1 Li5 77.9(8) . 6_665
N5 Si1 Li5 93.5(6) 2_655 6_665
N5 Si1 Li5 142.8(7) . 6_665
Li5 Si1 Li5 70.4(12) 5_655 6_665
Li5 Si1 Li5 51.2(11) 3_655 6_665
O3 Si1 Li2 86.9(4) 2_655 2_655
O3 Si1 Li2 86.9(4) . 2_655
N5 Si1 Li2 153.2(7) . 2_655
Li5 Si1 Li2 111.1(8) 5_655 2_655
Li5 Si1 Li2 111.1(8) 3_655 2_655
Li5 Si1 Li2 59.9(7) 4 2_655
Li5 Si1 Li2 59.9(7) 6_665 2_655
O3 Si1 Li2 86.9(4) 2_655 .
O3 Si1 Li2 86.9(4) . .
N5 Si1 Li2 153.2(7) 2_655 .
Li5 Si1 Li2 59.9(7) 5_655 .
Li5 Si1 Li2 59.9(7) 3_655 .
Li5 Si1 Li2 111.1(8) 4 .
Li5 Si1 Li2 111.1(8) 6_665 .
Li2 Si1 Li2 170.2(12) 2_655 .
O1 Si2 N5 111.1(6) 5_655 .
O1 Si2 N6 106.6(4) 5_655 .
N5 Si2 N6 109.5(4) . .
O1 Si2 N6 106.6(4) 5_655 7_565
N5 Si2 N6 109.5(4) . 7_565
N6 Si2 N6 113.4(6) . 7_565
O1 Si2 Li1 152.0(8) 5_655 1_556
N5 Si2 Li1 96.9(8) . 1_556
N6 Si2 Li1 61.8(4) . 1_556
N6 Si2 Li1 61.8(4) 7_565 1_556
O1 Si2 Li4 122.0(5) 5_655 5_655
N5 Si2 Li4 54.6(5) . 5_655
N6 Si2 Li4 55.0(6) . 5_655
N6 Si2 Li4 131.4(6) 7_565 5_655
Li1 Si2 Li4 74.3(6) 1_556 5_655
O1 Si2 Li4 122.0(5) 5_655 3_655
N5 Si2 Li4 54.6(5) . 3_655
N6 Si2 Li4 131.4(6) . 3_655
N6 Si2 Li4 55.0(6) 7_565 3_655
Li1 Si2 Li4 74.3(6) 1_556 3_655
Li4 Si2 Li4 95.3(11) 5_655 3_655
O1 Si2 Ce2 45.4(3) 5_655 2_655
N5 Si2 Ce2 128.6(3) . 2_655
N6 Si2 Ce2 120.5(3) . 2_655
N6 Si2 Ce2 61.4(3) 7_565 2_655
Li1 Si2 Ce2 115.6(5) 1_556 2_655
Li4 Si2 Ce2 166.9(5) 5_655 2_655
Li4 Si2 Ce2 95.8(5) 3_655 2_655
O1 Si2 Ce2 45.4(3) 5_655 .
N5 Si2 Ce2 128.6(3) . .
N6 Si2 Ce2 61.4(3) . .
N6 Si2 Ce2 120.5(3) 7_565 .
Li1 Si2 Ce2 115.6(5) 1_556 .
Li4 Si2 Ce2 95.8(5) 5_655 .
Li4 Si2 Ce2 166.9(5) 3_655 .
Ce2 Si2 Ce2 72.36(8) 2_655 .
N4 Si3 N1 107.4(3) . 3_646
N4 Si3 N1 107.4(3) . 5_656
N1 Si3 N1 115.2(5) 3_646 5_656
N4 Si3 N3 111.1(6) . 5_656
N1 Si3 N3 107.9(3) 3_646 5_656
N1 Si3 N3 107.9(3) 5_656 5_656
N4 Si3 Li5 74.3(6) . 5_656
N1 Si3 Li5 169.7(6) 3_646 5_656
N1 Si3 Li5 55.4(6) 5_656 5_656
N3 Si3 Li5 80.3(6) 5_656 5_656
N4 Si3 Li5 74.3(6) . 3_646
N1 Si3 Li5 55.4(6) 3_646 3_646
N1 Si3 Li5 169.7(6) 5_656 3_646
N3 Si3 Li5 80.3(6) 5_656 3_646
Li5 Si3 Li5 133.7(12) 5_656 3_646
N4 Si3 Ce1 57.4(4) . .
N1 Si3 Ce1 122.4(3) 3_646 .
N1 Si3 Ce1 122.4(3) 5_656 .
N3 Si3 Ce1 53.7(5) 5_656 .
Li5 Si3 Ce1 67.3(6) 5_656 .
Li5 Si3 Ce1 67.3(6) 3_646 .
N4 Si3 Ce2 139.54(16) . 2_645
N1 Si3 Ce2 51.6(2) 3_646 2_645
N1 Si3 Ce2 112.9(3) 5_656 2_645
N3 Si3 Ce2 59.5(4) 5_656 2_645
Li5 Si3 Ce2 133.2(6) 5_656 2_645
Li5 Si3 Ce2 65.4(6) 3_646 2_645
Ce1 Si3 Ce2 101.45(8) . 2_645
N4 Si3 Ce2 139.54(16) . .
N1 Si3 Ce2 112.9(3) 3_646 .
N1 Si3 Ce2 51.6(2) 5_656 .
N3 Si3 Ce2 59.5(4) 5_656 .
Li5 Si3 Ce2 65.4(6) 5_656 .
Li5 Si3 Ce2 133.2(6) 3_646 .
Ce1 Si3 Ce2 101.45(8) . .
Ce2 Si3 Ce2 73.51(8) 2_645 .
N4 Si3 Ce3 56.6(3) . 3_647
N1 Si3 Ce3 53.7(2) 3_646 3_647
N1 Si3 Ce3 112.7(3) 5_656 3_647
N3 Si3 Ce3 139.4(2) 5_656 3_647
Li5 Si3 Ce3 123.7(6) 5_656 3_647
Li5 Si3 Ce3 59.3(5) 3_646 3_647
Ce1 Si3 Ce3 102.08(9) . 3_647
Ce2 Si3 Ce3 102.91(4) 2_645 3_647
Ce2 Si3 Ce3 156.44(12) . 3_647
N4 Si3 Ce3 56.6(3) . .
N1 Si3 Ce3 112.7(3) 3_646 .
N1 Si3 Ce3 53.7(2) 5_656 .
N3 Si3 Ce3 139.4(2) 5_656 .
Li5 Si3 Ce3 59.3(5) 5_656 .
Li5 Si3 Ce3 123.7(6) 3_646 .
Ce1 Si3 Ce3 102.08(9) . .
Ce2 Si3 Ce3 156.44(12) 2_645 .
Ce2 Si3 Ce3 102.91(4) . .
Ce3 Si3 Ce3 70.80(7) 3_647 .
N6 Si4 N2 109.0(5) . .
N6 Si4 N7 114.6(5) . 1_556
N2 Si4 N7 109.9(5) . 1_556
N6 Si4 N1 107.7(4) . 5_656
N2 Si4 N1 111.5(4) . 5_656
N7 Si4 N1 104.0(4) 1_556 5_656
N6 Si4 Li3 64.3(5) . 5_655
N2 Si4 Li3 52.9(6) . 5_655
N7 Si4 Li3 155.4(7) 1_556 5_655
N1 Si4 Li3 99.4(7) 5_656 5_655
N6 Si4 Li2 149.3(7) . 5_656
N2 Si4 Li2 52.6(6) . 5_656
N7 Si4 Li2 62.1(5) 1_556 5_656
N1 Si4 Li2 102.4(7) 5_656 5_656
Li3 Si4 Li2 105.3(6) 5_655 5_656
N6 Si4 Li1 53.2(6) . 1_556
N2 Si4 Li1 117.6(6) . 1_556
N7 Si4 Li1 62.7(6) 1_556 1_556
N1 Si4 Li1 130.8(5) 5_656 1_556
Li3 Si4 Li1 107.0(7) 5_655 1_556
Li2 Si4 Li1 109.4(7) 5_656 1_556
N6 Si4 Li4 107.4(5) . 1_556
N2 Si4 Li4 77.8(6) . 1_556
N1 Si4 Li4 137.7(4) 5_656 1_556
Li3 Si4 Li4 116.7(8) 5_655 1_556
Li2 Si4 Li4 49.1(7) 5_656 1_556
Li1 Si4 Li4 60.4(7) 1_556 1_556
N6 Si4 Li1 85.4(5) . 5_655
N7 Si4 Li1 97.7(5) 1_556 5_655
N1 Si4 Li1 146.5(4) 5_656 5_655
Li3 Si4 Li1 57.8(8) 5_655 5_655
Li2 Si4 Li1 65.8(8) 5_656 5_655
Li1 Si4 Li1 82.0(2) 1_556 5_655
Li4 Si4 Li1 59.0(6) 1_556 5_655
N6 Si4 Ce2 60.0(3) . .
N2 Si4 Ce2 111.8(3) . .
N7 Si4 Ce2 137.0(3) 1_556 .
N1 Si4 Ce2 50.3(2) 5_656 .
Li3 Si4 Ce2 65.8(6) 5_655 .
Li2 Si4 Ce2 145.1(5) 5_656 .
Li1 Si4 Ce2 105.4(5) 1_556 .
Li4 Si4 Ce2 165.8(5) 1_556 .
Li1 Si4 Ce2 122.5(5) 5_655 .
N6 Si4 Ce3 140.6(3) . .
N2 Si4 Ce3 110.2(4) . .
N7 Si4 Ce3 52.8(3) 1_556 .
N1 Si4 Ce3 54.1(2) 5_656 .
Li3 Si4 Ce3 144.3(6) 5_655 .
Li2 Si4 Ce3 64.7(6) 5_656 .
Li1 Si4 Ce3 108.7(5) 1_556 .
Li4 Si4 Ce3 83.7(4) 1_556 .
Li1 Si4 Ce3 130.1(5) 5_655 .
Ce2 Si4 Ce3 101.92(6) . .
O2 Si5 N7 108.6(4) 5_656 3_646
O2 Si5 N7 108.6(4) 5_656 5_656
N7 Si5 N7 115.7(6) 3_646 5_656
O2 Si5 N4 107.8(5) 5_656 .
N7 Si5 N4 107.9(4) 3_646 .
N7 Si5 N4 107.9(4) 5_656 .
O2 Si5 Li4 55.2(5) 5_656 5_656
N7 Si5 Li4 135.4(6) 3_646 5_656
N7 Si5 Li4 53.8(6) 5_656 5_656
N4 Si5 Li4 116.5(5) . 5_656
O2 Si5 Li4 55.2(5) 5_656 3_646
N7 Si5 Li4 53.8(6) 3_646 3_646
N7 Si5 Li4 135.4(6) 5_656 3_646
N4 Si5 Li4 116.5(5) . 3_646
Li4 Si5 Li4 100.7(10) 5_656 3_646
O2 Si5 Li1 83.9(7) 5_656 5_656
N7 Si5 Li1 67.1(4) 3_646 5_656
N7 Si5 Li1 67.1(4) 5_656 5_656
N4 Si5 Li1 168.3(7) . 5_656
Li4 Si5 Li1 69.8(6) 5_656 5_656
Li4 Si5 Li1 69.8(6) 3_646 5_656
O2 Si5 Ce1 48.1(4) 5_656 .
N7 Si5 Ce1 122.0(3) 3_646 .
N7 Si5 Ce1 122.0(3) 5_656 .
N4 Si5 Ce1 59.7(4) . .
Li4 Si5 Ce1 80.3(4) 5_656 .
Li4 Si5 Ce1 80.3(4) 3_646 .
Li1 Si5 Ce1 132.0(6) 5_656 .
O2 Si5 Ce3 137.99(19) 5_656 3_647
N7 Si5 Ce3 53.5(3) 3_646 3_647
N7 Si5 Ce3 113.4(3) 5_656 3_647
N4 Si5 Ce3 57.6(3) . 3_647
Li4 Si5 Ce3 165.3(5) 5_656 3_647
Li4 Si5 Ce3 93.8(5) 3_646 3_647
Li1 Si5 Ce3 113.7(5) 5_656 3_647
Ce1 Si5 Ce3 104.74(9) . 3_647
O2 Si5 Ce3 137.99(19) 5_656 .
N7 Si5 Ce3 113.4(3) 3_646 .
N7 Si5 Ce3 53.5(3) 5_656 .
N4 Si5 Ce3 57.6(3) . .
Li4 Si5 Ce3 93.8(5) 5_656 .
Li4 Si5 Ce3 165.3(5) 3_646 .
Li1 Si5 Ce3 113.7(5) 5_656 .
Ce1 Si5 Ce3 104.74(9) . .
Ce3 Si5 Ce3 71.69(7) 3_647 .
Si3 N1 Si4 125.6(5) 5_656 5_656
Si3 N1 Li5 88.2(9) 5_656 .
Si4 N1 Li5 145.5(9) 5_656 .
Si3 N1 Ce2 96.0(3) 5_656 5_656
Si4 N1 Ce2 97.2(3) 5_656 5_656
Li5 N1 Ce2 84.6(7) . 5_656
Si3 N1 Ce3 94.8(3) 5_656 1_554
Si4 N1 Ce3 93.3(3) 5_656 1_554
Li5 N1 Ce3 75.0(7) . 1_554
Ce2 N1 Ce3 156.6(3) 5_656 1_554
Si4 N2 Si4 130.7(6) . 7
Si4 N2 Li1 114.4(3) . 5_655
Si4 N2 Li1 114.4(3) 7 5_655
Si4 N2 Li3 88.0(5) . 5_655
Si4 N2 Li3 88.0(5) 7 5_655
Li1 N2 Li3 86.0(12) 5_655 5_655
Si4 N2 Li2 89.7(5) . 5_656
Si4 N2 Li2 89.7(5) 7 5_656
Li1 N2 Li2 99.6(12) 5_655 5_656
Li3 N2 Li2 174.4(13) 5_655 5_656
Si3 N3 Si3 173.7(10) 5_656 6_566
Si3 N3 Ce1 93.2(5) 5_656 5_656
Si3 N3 Ce1 93.2(5) 6_566 5_656
Si3 N3 Ce2 87.7(4) 5_656 6_566
Si3 N3 Ce2 87.7(4) 6_566 6_566
Ce1 N3 Ce2 136.0(2) 5_656 6_566
Si3 N3 Ce2 87.7(4) 5_656 5_656
Si3 N3 Ce2 87.7(4) 6_566 5_656
Ce1 N3 Ce2 136.0(2) 5_656 5_656
Ce2 N3 Ce2 87.9(4) 6_566 5_656
Si3 N4 Si5 176.4(7) . .
Si3 N4 Ce1 90.1(4) . .
Si5 N4 Ce1 86.3(4) . .
Si3 N4 Ce3 92.3(4) . 3_647
Si5 N4 Ce3 90.3(3) . 3_647
Ce1 N4 Ce3 135.99(16) . 3_647
Si3 N4 Ce3 92.3(4) . .
Si5 N4 Ce3 90.3(3) . .
Ce1 N4 Ce3 135.99(16) . .
Ce3 N4 Ce3 87.8(3) 3_647 .
Si2 N5 Si1 124.1(7) . .
Si2 N5 Li2 123.3(11) . .
Si1 N5 Li2 112.5(11) . .
Si2 N5 Li4 83.3(6) . 5_655
Si1 N5 Li4 114.3(6) . 5_655
Li2 N5 Li4 73.4(7) . 5_655
Si2 N5 Li4 83.3(6) . 3_655
Si1 N5 Li4 114.3(6) . 3_655
Li2 N5 Li4 73.4(7) . 3_655
Li4 N5 Li4 128.5(12) 5_655 3_655
Si4 N6 Si2 149.7(6) . .
Si4 N6 Li4 124.7(8) . 5_655
Si2 N6 Li4 82.9(8) . 5_655
Si4 N6 Li1 90.4(7) . 1_556
Si2 N6 Li1 76.9(6) . 1_556
Li4 N6 Li1 88.4(10) 5_655 1_556
Si4 N6 Li3 77.8(8) . 5_655
Si2 N6 Li3 129.3(8) . 5_655
Li4 N6 Li3 67.7(11) 5_655 5_655
Li1 N6 Li3 138.5(9) 1_556 5_655
Si4 N6 Ce2 88.6(3) . .
Si2 N6 Ce2 86.5(3) . .
Li4 N6 Ce2 120.7(7) 5_655 .
Li1 N6 Ce2 144.5(7) 1_556 .
Li3 N6 Ce2 75.6(8) 5_655 .
Si5 N7 Si4 150.1(7) 5_656 1_554
Si5 N7 Li4 83.9(8) 5_656 .
Si4 N7 Li4 109.5(8) 1_554 .
Si5 N7 Li2 128.9(8) 5_656 5_655
Si4 N7 Li2 80.5(8) 1_554 5_655
Li4 N7 Li2 64.3(11) . 5_655
Si5 N7 Li1 75.2(6) 5_656 .
Si4 N7 Li1 80.9(6) 1_554 .
Li4 N7 Li1 79.9(9) . .
Li2 N7 Li1 130.7(9) 5_655 .
Si5 N7 Ce3 95.0(4) 5_656 1_554
Si4 N7 Ce3 95.8(4) 1_554 1_554
Li4 N7 Ce3 130.3(7) . 1_554
Li2 N7 Ce3 79.4(8) 5_655 1_554
Li1 N7 Ce3 147.8(7) . 1_554
Si2 O1 Si2 132.8(9) 5_655 6
Si2 O1 Ce2 103.72(17) 5_655 6
Si2 O1 Ce2 103.72(17) 6 6
Si2 O1 Ce2 103.72(17) 5_655 5_655
Si2 O1 Ce2 103.72(17) 6 5_655
Ce2 O1 Ce2 107.3(6) 6 5_655
Si5 O2 Li3 128.3(11) 5_656 .
Si5 O2 Li4 83.6(6) 5_656 7_565
Li3 O2 Li4 78.3(7) . 7_565
Si5 O2 Li4 83.6(6) 5_656 .
Li3 O2 Li4 78.3(7) . .
Li4 O2 Li4 137.5(12) 7_565 .
Si5 O2 Ce1 99.7(5) 5_656 5_656
Li3 O2 Ce1 132.1(11) . 5_656
Li4 O2 Ce1 111.0(6) 7_565 5_656
Li4 O2 Ce1 111.0(6) . 5_656
Si1 O3 Li5 112.9(11) . 5_655
Si1 O3 Li5 112.9(11) . 4
Li5 O3 Li5 84.8(17) 5_655 4
Si1 O3 Ce1 137.4(6) . 1_554
Li5 O3 Ce1 98.0(11) 5_655 1_554
Li5 O3 Ce1 98.0(11) 4 1_554
Li5 O1O Li5 62.4(18) 6_666 4_556
Li5 O1O Li5 71.9(15) 6_666 3_656
Li5 O1O Li5 103.1(17) 4_556 3_656
Li5 O1O Li5 103.1(17) 6_666 5_656
Li5 O1O Li5 71.9(15) 4_556 5_656
Li5 O1O Li5 62.4(18) 3_656 5_656
Li5 O1O Ce2 142.7(8) 6_666 .
Li5 O1O Ce2 89.8(9) 4_556 .
Li5 O1O Ce2 142.7(8) 3_656 .
Li5 O1O Ce2 89.8(9) 5_656 .
Li5 O1O Ce2 89.8(9) 6_666 2_655
Li5 O1O Ce2 142.7(8) 4_556 2_655
Li5 O1O Ce2 89.8(9) 3_656 2_655
Li5 O1O Ce2 142.7(8) 5_656 2_655
Ce2 O1O Ce2 100.8(5) . 2_655
Li5 O2O Li5 72(2) 3_655 5_655
Li5 O2O Li2 100.5(11) 3_655 .
Li5 O2O Li2 100.5(11) 5_655 .
Li5 O2O Ce3 157.7(10) 3_655 1_554
Li5 O2O Ce3 89.5(10) 5_655 1_554
Li2 O2O Ce3 94.9(6) . 1_554
Li5 O2O Ce3 89.5(10) 3_655 3_656
Li5 O2O Ce3 157.7(10) 5_655 3_656
Li2 O2O Ce3 94.9(6) . 3_656
Ce3 O2O Ce3 105.3(3) 1_554 3_656
Li3 O3O Li3 139(2) 2 .
Li3 O3O Ce2 101.7(6) 2 5_655
Li3 O3O Ce2 101.7(6) . 5_655
Li3 O3O Ce2 101.7(6) 2 6_565
Li3 O3O Ce2 101.7(6) . 6_565
Ce2 O3O Ce2 110.0(6) 5_655 6_565
N2 Li1 N6 117.7(11) 5_655 7_564
N2 Li1 N6 117.7(11) 5_655 1_554
N6 Li1 N6 77.5(9) 7_564 1_554
N2 Li1 Si2 111.0(12) 5_655 1_554
N6 Li1 Si2 41.3(5) 7_564 1_554
N6 Li1 Si2 41.3(5) 1_554 1_554
N2 Li1 N7 128.7(9) 5_655 7_565
N6 Li1 N7 72.3(6) 7_564 7_565
N6 Li1 N7 113.6(12) 1_554 7_565
Si2 Li1 N7 106.3(9) 1_554 7_565
N2 Li1 N7 128.7(9) 5_655 .
N6 Li1 N7 113.6(12) 7_564 .
N6 Li1 N7 72.3(6) 1_554 .
Si2 Li1 N7 106.3(9) 1_554 .
N7 Li1 N7 68.4(9) 7_565 .
N2 Li1 Si5 122.2(12) 5_655 5_656
N6 Li1 Si5 106.4(10) 7_564 5_656
N6 Li1 Si5 106.4(10) 1_554 5_656
Si2 Li1 Si5 126.8(11) 1_554 5_656
N7 Li1 Si5 37.7(4) 7_565 5_656
N7 Li1 Si5 37.7(4) . 5_656
N2 Li1 Li3 49.2(9) 5_655 .
N6 Li1 Li3 141.1(5) 7_564 .
N6 Li1 Li3 141.1(5) 1_554 .
Si2 Li1 Li3 160.2(14) 1_554 .
N7 Li1 Li3 90.0(9) 7_565 .
N7 Li1 Li3 90.0(9) . .
Si5 Li1 Li3 73.0(9) 5_656 .
N2 Li1 Si4 127.7(5) 5_655 7_564
N6 Li1 Si4 36.5(3) 7_564 7_564
N6 Li1 Si4 100.7(10) 1_554 7_564
Si2 Li1 Si4 75.1(6) 1_554 7_564
N7 Li1 Si4 36.4(3) 7_565 7_564
N7 Li1 Si4 94.8(9) . 7_564
Si5 Li1 Si4 73.1(6) 5_656 7_564
Li3 Li1 Si4 115.5(7) . 7_564
N2 Li1 Si4 127.7(5) 5_655 1_554
N6 Li1 Si4 100.7(10) 7_564 1_554
N6 Li1 Si4 36.5(3) 1_554 1_554
Si2 Li1 Si4 75.1(6) 1_554 1_554
N7 Li1 Si4 94.8(9) 7_565 1_554
N7 Li1 Si4 36.4(3) . 1_554
Si5 Li1 Si4 73.1(6) 5_656 1_554
Li3 Li1 Si4 115.5(7) . 1_554
Si4 Li1 Si4 104.5(9) 7_564 1_554
N2 Li1 Li4 86.8(9) 5_655 .
N6 Li1 Li4 155.2(13) 7_564 .
N6 Li1 Li4 95.5(6) 1_554 .
Si2 Li1 Li4 136.8(7) 1_554 .
N7 Li1 Li4 89.4(9) 7_565 .
N7 Li1 Li4 42.3(5) . .
Si5 Li1 Li4 52.3(6) 5_656 .
Li3 Li1 Li4 52.3(7) . .
Si4 Li1 Li4 125.3(11) 7_564 .
Si4 Li1 Li4 63.5(5) 1_554 .
N2 Li1 Li4 86.8(9) 5_655 7_565
N6 Li1 Li4 95.5(6) 7_564 7_565
N6 Li1 Li4 155.2(13) 1_554 7_565
Si2 Li1 Li4 136.8(7) 1_554 7_565
N7 Li1 Li4 42.3(5) 7_565 7_565
N7 Li1 Li4 89.4(9) . 7_565
Si5 Li1 Li4 52.3(6) 5_656 7_565
Li3 Li1 Li4 52.3(7) . 7_565
Si4 Li1 Li4 63.5(5) 7_564 7_565
Si4 Li1 Li4 125.3(11) 1_554 7_565
Li4 Li1 Li4 80.8(11) . 7_565
N5 Li2 O2O 118.8(16) . .
N5 Li2 N2 109.2(15) . 5_656
O2O Li2 N2 132.0(16) . 5_656
N5 Li2 Li4 54.4(8) . 3_655
O2O Li2 Li4 121.6(10) . 3_655
N2 Li2 Li4 86.0(10) 5_656 3_655
N5 Li2 Li4 54.4(8) . 5_655
O2O Li2 Li4 121.6(10) . 5_655
N2 Li2 Li4 86.0(10) 5_656 5_655
Li4 Li2 Li4 99.6(15) 3_655 5_655
N5 Li2 N7 102.8(8) . 5_655
O2O Li2 N7 95.9(8) . 5_655
N2 Li2 N7 72.7(7) 5_656 5_655
Li4 Li2 N7 141.7(14) 3_655 5_655
Li4 Li2 N7 48.7(6) 5_655 5_655
N5 Li2 N7 102.8(8) . 3_655
O2O Li2 N7 95.9(8) . 3_655
N2 Li2 N7 72.7(7) 5_656 3_655
Li4 Li2 N7 48.7(6) 3_655 3_655
Li4 Li2 N7 141.7(14) 5_655 3_655
N7 Li2 N7 142.1(14) 5_655 3_655
N5 Li2 Si4 120.1(11) . 5_656
O2O Li2 Si4 109.8(11) . 5_656
N2 Li2 Si4 37.7(4) 5_656 5_656
Li4 Li2 Si4 122.2(13) 3_655 5_656
Li4 Li2 Si4 71.5(7) 5_655 5_656
N7 Li2 Si4 37.4(4) 5_655 5_656
N7 Li2 Si4 104.9(10) 3_655 5_656
N5 Li2 Si4 120.1(11) . 3_656
O2O Li2 Si4 109.8(11) . 3_656
N2 Li2 Si4 37.7(4) 5_656 3_656
Li4 Li2 Si4 71.5(7) 3_655 3_656
Li4 Li2 Si4 122.2(13) 5_655 3_656
N7 Li2 Si4 104.9(10) 5_655 3_656
N7 Li2 Si4 37.4(4) 3_655 3_656
Si4 Li2 Si4 67.6(7) 5_656 3_656
N5 Li2 Li5 86.3(11) . 5_655
O2O Li2 Li5 38.8(8) . 5_655
N2 Li2 Li5 153.5(10) 5_656 5_655
Li4 Li2 Li5 120.3(13) 3_655 5_655
Li4 Li2 Li5 86.2(10) 5_655 5_655
N7 Li2 Li5 83.2(8) 5_655 5_655
N7 Li2 Li5 126.0(12) 3_655 5_655
Si4 Li2 Li5 116.0(8) 5_656 5_655
Si4 Li2 Li5 148.6(13) 3_656 5_655
N5 Li2 Li5 86.3(11) . 3_655
O2O Li2 Li5 38.8(8) . 3_655
N2 Li2 Li5 153.5(10) 5_656 3_655
Li4 Li2 Li5 86.2(10) 3_655 3_655
Li4 Li2 Li5 120.3(13) 5_655 3_655
N7 Li2 Li5 126.0(12) 5_655 3_655
N7 Li2 Li5 83.2(8) 3_655 3_655
Si4 Li2 Li5 148.6(13) 5_656 3_655
Si4 Li2 Li5 116.0(8) 3_656 3_655
Li5 Li2 Li5 43.9(14) 5_655 3_655
O3O Li3 O2 110.6(17) . .
O3O Li3 N2 129.8(18) . 5_655
O2 Li3 N2 119.6(16) . 5_655
O3O Li3 N6 98.8(8) . 3_655
O2 Li3 N6 100.8(8) . 3_655
N2 Li3 N6 72.8(7) 5_655 3_655
O3O Li3 N6 98.8(8) . 5_655
O2 Li3 N6 100.8(8) . 5_655
N2 Li3 N6 72.8(7) 5_655 5_655
N6 Li3 N6 145.1(14) 3_655 5_655
O3O Li3 Li4 116.3(11) . 7_565
O2 Li3 Li4 52.3(8) . 7_565
N2 Li3 Li4 95.2(10) 5_655 7_565
N6 Li3 Li4 48.7(6) 3_655 7_565
N6 Li3 Li4 140.9(14) 5_655 7_565
O3O Li3 Li4 116.3(11) . .
O2 Li3 Li4 52.3(8) . .
N2 Li3 Li4 95.2(10) 5_655 .
N6 Li3 Li4 140.9(14) 3_655 .
N6 Li3 Li4 48.7(6) 5_655 .
Li4 Li3 Li4 97.7(15) 7_565 .
O3O Li3 Si4 107.2(12) . 5_655
O2 Li3 Si4 127.7(11) . 5_655
N2 Li3 Si4 39.1(5) 5_655 5_655
N6 Li3 Si4 107.8(11) 3_655 5_655
N6 Li3 Si4 37.8(4) 5_655 5_655
Li4 Li3 Si4 132.3(13) 7_565 5_655
Li4 Li3 Si4 79.0(7) . 5_655
O3O Li3 Si4 107.2(12) . 3_655
O2 Li3 Si4 127.7(11) . 3_655
N2 Li3 Si4 39.1(5) 5_655 3_655
N6 Li3 Si4 37.8(4) 3_655 3_655
N6 Li3 Si4 107.8(11) 5_655 3_655
Li4 Li3 Si4 79.0(7) 7_565 3_655
Li4 Li3 Si4 132.3(13) . 3_655
Si4 Li3 Si4 70.0(8) 5_655 3_655
O3O Li3 Li1 174.6(18) . .
O2 Li3 Li1 74.8(12) . .
N2 Li3 Li1 44.8(9) 5_655 .
N6 Li3 Li1 79.8(7) 3_655 .
N6 Li3 Li1 79.8(7) 5_655 .
Li4 Li3 Li1 66.7(9) 7_565 .
Li4 Li3 Li1 66.7(9) . .
Si4 Li3 Li1 68.5(8) 5_655 .
Si4 Li3 Li1 68.5(8) 3_655 .
O3O Li3 Ce2 44.5(6) . 5_655
O2 Li3 Ce2 127.6(10) . 5_655
N2 Li3 Ce2 99.4(10) 5_655 5_655
N6 Li3 Ce2 124.7(11) 3_655 5_655
N6 Li3 Ce2 56.7(5) 5_655 5_655
Li4 Li3 Ce2 160.7(12) 7_565 5_655
Li4 Li3 Ce2 93.5(6) . 5_655
Si4 Li3 Ce2 65.3(5) 5_655 5_655
Si4 Li3 Ce2 104.7(10) 3_655 5_655
Li1 Li3 Ce2 132.4(8) . 5_655
N7 Li4 O2 83.3(10) . .
N7 Li4 N5 118.8(12) . 5_655
O2 Li4 N5 133.8(10) . 5_655
N7 Li4 N6 130.6(10) . 5_655
O2 Li4 N6 112.9(11) . 5_655
N5 Li4 N6 84.1(10) 5_655 5_655
N7 Li4 Li2 66.9(9) . 5_655
O2 Li4 Li2 133.7(11) . 5_655
N5 Li4 Li2 52.3(9) 5_655 5_655
N6 Li4 Li2 113.4(13) 5_655 5_655
N7 Li4 Si5 42.4(5) . 5_656
O2 Li4 Si5 41.2(5) . 5_656
N5 Li4 Si5 138.7(10) 5_655 5_656
N6 Li4 Si5 137.1(12) 5_655 5_656
Li2 Li4 Si5 100.2(9) 5_655 5_656
N7 Li4 Si2 141.0(12) . 5_655
O2 Li4 Si2 135.4(10) . 5_655
N5 Li4 Si2 42.1(5) 5_655 5_655
N6 Li4 Si2 42.1(5) 5_655 5_655
Li2 Li4 Si2 82.5(10) 5_655 5_655
Si5 Li4 Si2 176.6(10) 5_656 5_655
N7 Li4 Li3 111.7(12) . .
O2 Li4 Li3 49.4(8) . .
N5 Li4 Li3 129.5(11) 5_655 .
N6 Li4 Li3 63.7(9) 5_655 .
Li2 Li4 Li3 175.2(13) 5_655 .
Si5 Li4 Li3 80.8(9) 5_656 .
Si2 Li4 Li3 96.7(9) 5_655 .
N7 Li4 Li1 57.8(8) . .
O2 Li4 Li1 70.4(8) . .
N5 Li4 Li1 155.7(11) 5_655 .
N6 Li4 Li1 83.1(9) 5_655 .
Li2 Li4 Li1 115.5(11) 5_655 .
Si5 Li4 Li1 57.9(7) 5_656 .
Si2 Li4 Li1 122.8(9) 5_655 .
Li3 Li4 Li1 61.0(9) . .
N7 Li4 Li1 93.1(9) . 5_654
O2 Li4 Li1 148.5(10) . 5_654
N5 Li4 Li1 74.9(8) 5_655 5_654
N6 Li4 Li1 48.4(7) 5_655 5_654
Li2 Li4 Li1 70.9(10) 5_655 5_654
Si5 Li4 Li1 130.0(8) 5_656 5_654
Si2 Li4 Li1 52.8(6) 5_655 5_654
Li3 Li4 Li1 104.9(10) . 5_654
Li1 Li4 Li1 81.2(5) . 5_654
N7 Li4 Si4 31.8(4) . 1_554
O2 Li4 Si4 110.0(9) . 1_554
N5 Li4 Si4 107.1(9) 5_655 1_554
N6 Li4 Si4 102.6(7) 5_655 1_554
Li2 Li4 Si4 59.4(8) 5_655 1_554
Si5 Li4 Si4 71.7(5) 5_656 1_554
Si2 Li4 Si4 111.5(8) 5_655 1_554
Li3 Li4 Si4 116.9(10) . 1_554
Li1 Li4 Si4 56.2(6) . 1_554
Li1 Li4 Si4 61.4(6) 5_654 1_554
N7 Li4 Ce1 92.3(8) . 5_656
O2 Li4 Ce1 36.7(4) . 5_656
N5 Li4 Ce1 98.8(7) 5_655 5_656
N6 Li4 Ce1 129.2(8) 5_655 5_656
Li2 Li4 Ce1 107.5(9) 5_655 5_656
Si5 Li4 Ce1 56.7(4) 5_656 5_656
Si2 Li4 Ce1 120.6(6) 5_655 5_656
Li3 Li4 Ce1 77.0(9) . 5_656
Li1 Li4 Ce1 105.3(8) . 5_656
Li1 Li4 Ce1 173.1(9) 5_654 5_656
Si4 Li4 Ce1 124.0(6) 1_554 5_656
O3 Li5 F2F 122.1(16) 5_655 5_655
O3 Li5 O2O 122.1(16) 5_655 5_655
F2F Li5 O2O 0.0(6) 5_655 5_655
O3 Li5 F1F 96.0(13) 5_655 5_656
F2F Li5 F1F 102.8(15) 5_655 5_656
O2O Li5 F1F 102.8(15) 5_655 5_656
O3 Li5 O1O 96.0(13) 5_655 5_656
F2F Li5 O1O 102.8(15) 5_655 5_656
O2O Li5 O1O 102.8(15) 5_655 5_656
F1F Li5 O1O 0.0(6) 5_656 5_656
O3 Li5 Li5 94.9(11) 5_655 7
F2F Li5 Li5 54.1(10) 5_655 7
O2O Li5 Li5 54.1(10) 5_655 7
F1F Li5 Li5 58.8(9) 5_656 7
O1O Li5 Li5 58.8(9) 5_656 7
O3 Li5 N1 141.5(18) 5_655 .
F2F Li5 N1 93.0(11) 5_655 .
O2O Li5 N1 93.0(11) 5_655 .
F1F Li5 N1 90.6(10) 5_656 .
O1O Li5 N1 90.6(10) 5_656 .
Li5 Li5 N1 120.5(9) 7 .
O3 Li5 Li5 47.6(9) 5_655 8_655
F2F Li5 Li5 143.6(10) 5_655 8_655
O2O Li5 Li5 143.6(10) 5_655 8_655
F1F Li5 Li5 54.0(8) 5_656 8_655
O1O Li5 Li5 54.0(8) 5_656 8_655
Li5 Li5 Li5 90.000(2) 7 8_655
N1 Li5 Li5 112.7(7) . 8_655
O3 Li5 Si3 106.8(14) 5_655 5_656
F2F Li5 Si3 116.8(13) 5_655 5_656
O2O Li5 Si3 116.8(13) 5_655 5_656
F1F Li5 Si3 109.8(11) 5_656 5_656
O1O Li5 Si3 109.8(11) 5_656 5_656
Li5 Li5 Si3 156.9(6) 7 5_656
N1 Li5 Si3 36.5(5) . 5_656
Li5 Li5 Si3 98.6(5) 8_655 5_656
O3 Li5 Si1 30.9(6) 5_655 5_655
F2F Li5 Si1 93.2(12) 5_655 5_655
O2O Li5 Si1 93.2(12) 5_655 5_655
F1F Li5 Si1 93.2(11) 5_656 5_655
O1O Li5 Si1 93.2(11) 5_656 5_655
Li5 Li5 Si1 67.6(7) 7 5_655
N1 Li5 Si1 171.9(15) . 5_655
Li5 Li5 Si1 64.4(5) 8_655 5_655
Si3 Li5 Si1 135.4(12) 5_656 5_655
O3 Li5 Li2 84.8(11) 5_655 5_655
F2F Li5 Li2 40.8(8) 5_655 5_655
O2O Li5 Li2 40.8(8) 5_655 5_655
F1F Li5 Li2 126.7(15) 5_656 5_655
O1O Li5 Li2 126.7(15) 5_656 5_655
Li5 Li5 Li2 68.1(7) 7 5_655
N1 Li5 Li2 120.6(12) . 5_655
Li5 Li5 Li2 126.4(8) 8_655 5_655
Si3 Li5 Li2 120.9(11) 5_656 5_655
Si1 Li5 Li2 62.1(8) 5_655 5_655
O3 Li5 Ce3 132.9(13) 5_655 1_554
F2F Li5 Ce3 51.1(7) 5_655 1_554
O2O Li5 Ce3 51.1(7) 5_655 1_554
F1F Li5 Ce3 130.7(12) 5_656 1_554
O1O Li5 Ce3 130.7(12) 5_656 1_554
Li5 Li5 Ce3 104.2(7) 7 1_554
N1 Li5 Ce3 56.6(6) . 1_554
Li5 Li5 Ce3 165.2(7) 8_655 1_554
Si3 Li5 Ce3 66.7(7) 5_656 1_554
Si1 Li5 Ce3 124.6(9) 5_655 1_554
Li2 Li5 Ce3 64.4(8) 5_655 1_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O2 2.341(10) 6_656
Ce1 O2 2.341(10) 5_656
Ce1 O3 2.518(12) 2_646
Ce1 O3 2.518(12) 1_556
Ce1 N3 2.568(15) 5_656
Ce1 N4 2.681(11) .
Ce1 N4 2.681(11) 2_645
Ce1 Si5 3.100(4) .
Ce1 Si5 3.100(4) 2_645
Ce1 Si3 3.183(4) .
Ce1 Si3 3.183(4) 2_645
Ce1 Li5 3.38(3) 3_646
Ce2 F3F 2.351(8) 5_655
Ce2 O3O 2.351(8) 5_655
Ce2 O1 2.363(9) 5_655
Ce2 O1O 2.471(9) .
Ce2 N1 2.536(7) 4_556
Ce2 N1 2.536(7) 5_656
Ce2 N3 2.774(11) 5_656
Ce2 N6 2.837(8) .
Ce2 N6 2.837(8) 8_755
Ce2 Si3 3.217(3) .
Ce2 Si3 3.217(3) 2_645
Ce3 F2F 2.409(5) 5_656
Ce3 O2O 2.409(5) 5_656
Ce3 F2F 2.409(5) 1_556
Ce3 O2O 2.409(5) 1_556
Ce3 N7 2.638(8) 1_556
Ce3 N7 2.638(8) 5_656
Ce3 N1 2.674(7) 5_656
Ce3 N1 2.674(7) 1_556
Ce3 N4 2.761(8) 5_657
Ce3 N4 2.761(8) .
Ce3 Li5 3.10(3) 1_556
Ce3 Li5 3.10(3) 5_656
Si1 O3 1.684(12) 2_655
Si1 O3 1.684(12) .
Si1 N5 1.749(11) 2_655
Si1 N5 1.749(11) .
Si1 Li5 3.02(3) 5_655
Si1 Li5 3.02(3) 3_655
Si1 Li5 3.02(3) 4
Si1 Li5 3.02(3) 6_665
Si1 Li2 3.15(3) 2_655
Si1 Li2 3.15(3) .
Si2 O1 1.705(7) 5_655
Si2 N5 1.717(12) .
Si2 N6 1.720(9) .
Si2 N6 1.720(9) 7_565
Si2 Li1 2.54(3) 1_556
Si2 Li4 2.55(2) 5_655
Si2 Li4 2.55(2) 3_655
Si2 Ce2 3.225(3) 2_655
Si3 N4 1.710(12) .
Si3 N1 1.732(8) 3_646
Si3 N1 1.732(8) 5_656
Si3 N3 1.744(3) 5_656
Si3 Li5 2.91(4) 5_656
Si3 Li5 2.91(4) 3_646
Si3 Ce2 3.217(3) 2_645
Si3 Ce3 3.305(3) 3_647
Si4 N6 1.706(9) .
Si4 N2 1.717(5) .
Si4 N7 1.726(9) 1_556
Si4 N1 1.777(7) 5_656
Si4 Li3 2.72(3) 5_655
Si4 Li2 2.81(3) 5_656
Si4 Li1 2.870(18) 1_556
Si4 Li4 3.092(19) 1_556
Si4 Li1 3.14(3) 5_655
Si5 O2 1.676(11) 5_656
Si5 N7 1.715(10) 3_646
Si5 N7 1.715(10) 5_656
Si5 N4 1.738(12) .
Si5 Li4 2.53(2) 5_656
Si5 Li4 2.53(2) 3_646
Si5 Li1 2.71(3) 5_656
Si5 Ce3 3.270(3) 3_647
N1 Si3 1.732(8) 5_656
N1 Si4 1.777(7) 5_656
N1 Li5 2.40(3) .
N1 Ce2 2.536(7) 5_656
N1 Ce3 2.674(7) 1_554
N2 Si4 1.717(5) 7
N2 Li1 2.02(3) 5_655
N2 Li3 2.17(3) 5_655
N2 Li2 2.23(3) 5_656
N3 Si3 1.744(3) 5_656
N3 Si3 1.744(3) 6_566
N3 Ce1 2.568(15) 5_656
N3 Ce2 2.774(11) 6_566
N3 Ce2 2.774(11) 5_656
N4 Ce3 2.761(8) 3_647
N5 Li2 2.03(3) .
N5 Li4 2.09(3) 5_655
N5 Li4 2.09(3) 3_655
N6 Li4 2.10(2) 5_655
N6 Li1 2.30(2) 1_556
N6 Li3 2.507(13) 5_655
N7 Si5 1.715(10) 5_656
N7 Si4 1.726(9) 1_554
N7 Li4 2.05(2) .
N7 Li2 2.514(14) 5_655
N7 Li1 2.58(3) .
N7 Ce3 2.638(8) 1_554
O1 Si2 1.705(7) 5_655
O1 Si2 1.705(7) 6
O1 Ce2 2.363(9) 6
O1 Ce2 2.363(9) 5_655
O2 Si5 1.676(11) 5_656
O2 Li3 2.01(4) .
O2 Li4 2.09(3) 7_565
O2 Li4 2.09(3) .
O2 Ce1 2.341(10) 5_656
O3 Li5 1.94(3) 5_655
O3 Li5 1.94(3) 4
O3 Ce1 2.518(12) 1_554
O1O Li5 2.23(3) 6_666
O1O Li5 2.23(3) 4_556
O1O Li5 2.23(3) 3_656
O1O Li5 2.23(3) 5_656
O1O Ce2 2.471(9) 2_655
O2O Li5 1.96(3) 3_655
O2O Li5 1.96(3) 5_655
O2O Li2 2.05(3) .
O2O Ce3 2.409(5) 1_554
O2O Ce3 2.409(5) 3_656
O3O Li3 1.87(3) 2
O3O Li3 1.87(3) .
O3O Ce2 2.351(8) 5_655
O3O Ce2 2.351(8) 6_565
Li1 N2 2.02(3) 5_655
Li1 N6 2.30(2) 7_564
Li1 N6 2.30(2) 1_554
Li1 Si2 2.54(3) 1_554
Li1 N7 2.58(3) 7_565
Li1 Si5 2.71(3) 5_656
Li1 Li3 2.86(4) .
Li1 Si4 2.870(18) 7_564
Li1 Si4 2.870(18) 1_554
Li1 Li4 3.00(3) .
Li1 Li4 3.00(3) 7_565
Li2 N2 2.23(3) 5_656
Li2 Li4 2.46(3) 3_655
Li2 Li4 2.46(3) 5_655
Li2 N7 2.514(14) 5_655
Li2 N7 2.514(14) 3_655
Li2 Si4 2.81(3) 5_656
Li2 Si4 2.81(3) 3_656
Li2 Li5 3.08(4) 5_655
Li2 Li5 3.08(4) 3_655
Li3 N2 2.17(3) 5_655
Li3 N6 2.507(13) 3_655
Li3 N6 2.507(13) 5_655
Li3 Li4 2.59(3) 7_565
Li3 Li4 2.59(3) .
Li3 Si4 2.72(3) 5_655
Li3 Si4 2.72(3) 3_655
Li3 Ce2 3.29(3) 5_655
Li4 N5 2.09(3) 5_655
Li4 N6 2.10(2) 5_655
Li4 Li2 2.46(3) 5_655
Li4 Si5 2.53(2) 5_656
Li4 Si2 2.55(2) 5_655
Li4 Li1 3.07(3) 5_654
Li4 Si4 3.092(19) 1_554
Li5 O3 1.94(3) 5_655
Li5 F2F 1.96(3) 5_655
Li5 O2O 1.96(3) 5_655
Li5 F1F 2.23(3) 5_656
Li5 O1O 2.23(3) 5_656
Li5 Li5 2.31(7) 7
Li5 Li5 2.61(6) 8_655
Li5 Si3 2.91(4) 5_656
Li5 Si1 3.02(3) 5_655
Li5 Li2 3.08(4) 5_655
Li5 Ce3 3.10(3) 1_554
