#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:02:58 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228995 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/97/7229734.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_7229734
loop_
_publ_author_name
'Shen, Yali'
'Zhang, Limei'
'Sun, Peipei'
'Liu, Shuzhen'
'Jiang, Wenqing'
'Jia, Dingxian'
_publ_section_title
;
 Iodoargentates from clusters to 1D chains and 2D layers induced by
 solvated lanthanide complex cations: syntheses, crystal structures, and
 photoluminescence properties
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              520
_journal_paper_doi               10.1039/C7CE01833A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C64 H196 Ag22 I34 La4 O34 S32'
_chemical_formula_sum            'C64 H196 Ag22 I34 La4 O34 S32'
_chemical_formula_weight         9779.51
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-10-18 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                96.95(3)
_cell_angle_beta                 101.33(3)
_cell_angle_gamma                111.95(3)
_cell_formula_units_Z            1
_cell_length_a                   13.485(3)
_cell_length_b                   16.959(3)
_cell_length_c                   29.331(6)
_cell_measurement_reflns_used    21111
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      3.0247
_cell_volume                     5959(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      253(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_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  0.0605
_diffrn_reflns_av_sigmaI/netI    0.0889
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            47653
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    7.184
_exptl_absorpt_correction_T_max  0.1877
_exptl_absorpt_correction_T_min  0.1236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4428
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         2.292
_refine_diff_density_min         -1.394
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     953
_refine_ls_number_reflns         21661
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0784P)²+89.5995P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.1062
_reflns_number_gt                16923
_reflns_number_total             21661
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce01833a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7229734--7229739.cif.'
_cod_original_cell_volume        5959(2)
_cod_database_code               7229734
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -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
Ag1 Ag 0.8207(3) 1.29390(17) 0.36011(13) 0.0925(11) Uani 1 1 d .
Ag2 Ag 0.8694(2) 1.14188(16) 0.35041(9) 0.0939(7) Uani 1 1 d .
Ag3 Ag 0.9904(2) 1.1174(2) 0.26668(10) 0.0907(10) Uani 1 1 d .
Ag4 Ag 1.05644(19) 1.07939(17) 0.37078(9) 0.0944(7) Uani 1 1 d .
Ag5 Ag 0.9395(2) 0.86039(17) 0.31969(9) 0.0866(8) Uani 1 1 d .
Ag6 Ag 0.84522(19) 0.73718(15) 0.21327(9) 0.0917(7) Uani 1 1 d .
Ag7 Ag 0.8851(2) 0.90098(17) 0.16676(11) 0.0851(9) Uani 1 1 d .
Ag8 Ag 1.06523(19) 0.79558(14) 0.15918(8) 0.0868(6) Uani 1 1 d .
Ag9 Ag 1.1195(2) 0.64397(14) 0.12397(9) 0.0915(8) Uani 1 1 d .
Ag10 Ag 0.90162(19) 0.66109(14) 0.06546(8) 0.0888(6) Uani 1 1 d .
Ag11 Ag 1.1150(2) 0.49780(15) 0.04040(9) 0.0907(7) Uani 1 1 d .
I1 I 0.94200(16) 1.27609(12) 0.29403(7) 0.0924(5) Uani 1 1 d .
I2 I 0.65191(14) 1.13222(12) 0.35359(7) 0.0849(5) Uani 1 1 d .
I3 I 0.8355(2) 1.44595(16) 0.40420(12) 0.1442(11) Uani 1 1 d .
I4 I 0.82901(12) 0.97651(10) 0.29598(6) 0.0872(4) Uani 1 1 d .
I5 I 1.02109(15) 1.19336(13) 0.44018(7) 0.0876(6) Uani 1 1 d .
I6 I 1.20775(14) 1.16630(13) 0.32119(7) 0.0872(6) Uani 1 1 d .
I7 I 0.93130(17) 1.07530(12) 0.16680(6) 0.0830(5) Uani 1 1 d .
I8 I 1.0874(2) 0.94473(18) 0.40870(8) 0.08622(9) Uani 1 1 d .
I9 I 1.05910(12) 0.89261(10) 0.24492(5) 0.0759(4) Uani 1 1 d .
I10 I 0.8075(2) 0.68241(15) 0.29802(9) 0.0943(8) Uani 1 1 d .
I11 I 0.67665(14) 0.77416(12) 0.16259(7) 0.0798(5) Uani 1 1 d .
I12 I 0.90668(14) 0.61595(10) 0.15766(6) 0.0768(4) Uani 1 1 d .
I13 I 0.95342(15) 0.84233(11) 0.08041(6) 0.0757(4) Uani 1 1 d .
I14 I 1.28249(15) 0.80841(12) 0.17051(8) 0.0893(6) Uani 1 1 d .
I15 I 1.08289(13) 0.65216(10) 0.02158(6) 0.0638(4) Uani 1 1 d .
I16 I 1.15151(16) 0.49633(12) 0.13796(7) 0.0820(5) Uani 1 1 d .
I17 I 0.72330(13) 0.53024(11) -0.00290(7) 0.0767(5) Uani 1 1 d .
La1 La 0.48415(9) 0.20999(7) 0.11525(4) 0.0807(3) Uani 1 1 d .
La2 La 0.40868(9) 0.70894(8) 0.40626(4) 0.0872(3) Uani 1 1 d .
O1 O 0.578(3) 0.2878(19) 0.1955(7) 0.103(3) Uani 1 1 d D
O2 O 0.365(2) 0.0780(10) 0.0559(8) 0.101(10) Uani 1 1 d D
O3 O 0.394(2) 0.1381(19) 0.1679(11) 0.095(16) Uani 1 1 d D
O4 O 0.5496(19) 0.0993(16) 0.1299(11) 0.103(13) Uani 1 1 d D
O5 O 0.3028(13) 0.2146(14) 0.0944(8) 0.098(10) Uani 1 1 d D
O6 O 0.499(2) 0.2312(14) 0.0374(5) 0.115(10) Uani 1 1 d D
O7 O 0.513(2) 0.3556(10) 0.1220(10) 0.107(11) Uani 1 1 d D
O8 O 0.6827(13) 0.2623(12) 0.1225(8) 0.100(4) Uani 1 1 d D
O9 O 0.4760(16) 0.7121(15) 0.3346(6) 0.100(7) Uani 1 1 d D
O10 O 0.2514(16) 0.7135(18) 0.4322(7) 0.113(9) Uani 1 1 d D
O11 O 0.5473(19) 0.6484(16) 0.4202(8) 0.112(5) Uani 1 1 d D
O12 O 0.2473(12) 0.6395(14) 0.3380(6) 0.100(6) Uani 1 1 d D
O13 O 0.321(2) 0.5629(13) 0.4169(10) 0.112(15) Uani 1 1 d D
O14 O 0.4550(14) 0.7355(15) 0.4949(6) 0.089(8) Uani 1 1 d D
O15 O 0.3834(19) 0.8283(12) 0.3807(8) 0.101(9) Uani 1 1 d D
O16 O 0.5919(13) 0.8325(14) 0.4357(7) 0.112(9) Uani 1 1 d D
O17 O 0.254(3) 0.3059(16) 0.2006(10) 0.080(10) Uani 0.50 1 d PD
O18 O 0.274(3) 0.4527(17) 0.2820(8) 0.110(2) Uani 0.50 1 d PD
S1A S 0.6523(16) 0.3196(10) 0.2439(6) 0.104(6) Uani 0.50 1 d PD
S1B S 0.601(2) 0.3596(15) 0.2358(8) 0.112(11) Uani 0.50 1 d PD
S2A S 0.3469(15) -0.0052(10) 0.0273(7) 0.121(9) Uani 0.70 1 d PD
S2B S 0.263(2) -0.0012(16) 0.0322(12) 0.116(16) Uani 0.30 1 d PD
S3A S 0.321(3) 0.0543(14) 0.1773(8) 0.087(14) Uani 0.30 1 d PD
S3B S 0.3248(10) 0.1277(8) 0.2024(4) 0.101(4) Uani 0.70 1 d PD
S4A S 0.554(3) 0.0387(17) 0.1623(11) 0.118(13) Uani 0.30 1 d PD
S4B S 0.6392(8) 0.0731(7) 0.1501(5) 0.088(4) Uani 0.70 1 d PD
S5A S 0.1919(15) 0.1992(13) 0.0931(8) 0.086(7) Uani 0.30 1 d PD
S5B S 0.2093(7) 0.2008(7) 0.0562(4) 0.077(3) Uani 0.70 1 d PD
S6A S 0.5303(17) 0.3004(10) 0.0104(6) 0.066(6) Uani 0.30 1 d PD
S6B S 0.4590(10) 0.2247(7) -0.0146(4) 0.098(4) Uani 0.70 1 d PD
S7A S 0.5611(11) 0.4511(6) 0.1382(4) 0.080(3) Uani 0.60 1 d PD
S7B S 0.4748(13) 0.4216(11) 0.1105(6) 0.077(5) Uani 0.40 1 d PD
S8A S 0.7898(14) 0.3452(13) 0.1392(9) 0.120(4) Uani 0.40 1 d PD
S8B S 0.7720(11) 0.2764(9) 0.0954(6) 0.120(4) Uani 0.60 1 d PD
S9 S 0.4349(7) 0.7289(7) 0.2867(3) 0.101(3) Uani 1 1 d D
S10 S 0.1981(9) 0.7430(11) 0.4627(5) 0.110(7) Uani 1 1 d D
S11A S 0.6261(16) 0.6378(14) 0.3935(7) 0.105(5) Uani 0.50 1 d PD
S11B S 0.6064(17) 0.5904(14) 0.4214(7) 0.105(5) Uani 0.50 1 d PD
S12A S 0.164(2) 0.611(2) 0.2912(10) 0.107(13) Uani 0.30 1 d PD
S12B S 0.1310(9) 0.6301(11) 0.3223(5) 0.089(5) Uani 0.70 1 d PD
S13A S 0.2714(16) 0.4889(11) 0.4402(7) 0.115(7) Uani 0.50 1 d PD
S13B S 0.2179(13) 0.4811(9) 0.4002(7) 0.104(7) Uani 0.50 1 d PD
S14A S 0.5365(12) 0.7782(12) 0.5432(5) 0.102(5) Uani 0.50 1 d PD
S14B S 0.5239(15) 0.7074(13) 0.5307(5) 0.098(6) Uani 0.50 1 d PD
S15A S 0.4300(11) 0.9193(9) 0.3781(6) 0.091(5) Uani 0.50 1 d PD
S15B S 0.3250(10) 0.8855(9) 0.3787(7) 0.086(6) Uani 0.50 1 d PD
S16A S 0.7032(18) 0.899(2) 0.4570(11) 0.103(3) Uani 0.20 1 d PD
S16B S 0.6795(10) 0.8931(10) 0.4169(5) 0.124(6) Uani 0.80 1 d PD
C1 C 0.572(4) 0.314(3) 0.2841(12) 0.115(5) Uani 1 1 d D
C2 C 0.744(2) 0.4254(17) 0.2465(14) 0.116(19) Uani 1 1 d D
C3 C 0.279(4) -0.0862(18) 0.0562(17) 0.105(3) Uani 1 1 d D
C4 C 0.260(5) -0.016(4) -0.0283(9) 0.121(9) Uani 1 1 d D
C5 C 0.366(3) 0.064(2) 0.2393(9) 0.101(13) Uani 1 1 d D
C6 C 0.189(2) 0.053(3) 0.1731(17) 0.107(3) Uani 1 1 d D
C7 C 0.667(4) 0.096(4) 0.2121(8) 0.103(4) Uani 1 1 d D
C8 C 0.587(3) -0.0400(14) 0.1312(18) 0.109(2) Uani 1 1 d D
C9 C 0.100(2) 0.1022(15) 0.0540(12) 0.114(16) Uani 1 1 d D
C10 C 0.154(2) 0.2763(17) 0.0696(12) 0.100(14) Uani 1 1 d D
C11 C 0.410(3) 0.307(2) -0.0219(11) 0.101(13) Uani 1 1 d D
C12 C 0.570(2) 0.2665(17) -0.0406(9) 0.095(9) Uani 1 1 d D
C13 C 0.469(3) 0.490(2) 0.1590(11) 0.093(2) Uani 1 1 d D
C14 C 0.569(3) 0.515(2) 0.0955(12) 0.093(16) Uani 1 1 d D
C15 C 0.814(3) 0.3850(14) 0.0888(10) 0.095(12) Uani 1 1 d D
C16 C 0.876(3) 0.288(3) 0.1462(13) 0.111(3) Uani 1 1 d D
C17 C 0.549(2) 0.815(2) 0.2825(12) 0.122(4) Uani 1 1 d D
H17A H 0.5717 0.8619 0.3095 0.190 Uiso 1 1 calc R
H17B H 0.5305 0.8345 0.2538 0.190 Uiso 1 1 calc R
H17C H 0.6083 0.7972 0.2817 0.190 Uiso 1 1 calc R
C18 C 0.454(4) 0.653(2) 0.2472(12) 0.106(2) Uani 1 1 d D
H18A H 0.5114 0.6380 0.2634 0.140 Uiso 1 1 calc R
H18B H 0.4751 0.6778 0.2210 0.140 Uiso 1 1 calc R
H18C H 0.3863 0.6016 0.2354 0.140 Uiso 1 1 calc R
C19 C 0.0596(19) 0.710(4) 0.4318(14) 0.116(2) Uani 1 1 d D
H19A H 0.0509 0.7556 0.4175 0.154 Uiso 1 1 calc R
H19B H 0.0137 0.6963 0.4534 0.154 Uiso 1 1 calc R
H19C H 0.0380 0.6589 0.4073 0.154 Uiso 1 1 calc R
C20 C 0.178(4) 0.688(3) 0.5070(12) 0.116(2) Uani 1 1 d D
H20A H 0.2419 0.6773 0.5192 0.154 Uiso 1 1 calc R
H20B H 0.1144 0.6331 0.4947 0.154 Uiso 1 1 calc R
H20C H 0.1647 0.7215 0.5321 0.154 Uiso 1 1 calc R
C21 C 0.7498(18) 0.643(2) 0.4303(15) 0.112(3) Uani 1 1 d D
C22 C 0.584(3) 0.5336(17) 0.3624(10) 0.110(16) Uani 1 1 d D
C23 C 0.034(3) 0.5299(19) 0.287(2) 0.109(6) Uani 1 1 d D
C24 C 0.130(4) 0.699(2) 0.2822(17) 0.109(6) Uani 1 1 d D
C25 C 0.134(3) 0.468(3) 0.4405(17) 0.120(4) Uani 1 1 d D
C26 C 0.253(3) 0.3920(18) 0.4028(16) 0.109(3) Uani 1 1 d D
C27 C 0.484(3) 0.715(3) 0.5836(9) 0.102(17) Uani 1 1 d D
C28 C 0.6643(17) 0.774(3) 0.5417(15) 0.108(2) Uani 1 1 d D
C29 C 0.344(2) 0.941(3) 0.3320(13) 0.103(2) Uani 1 1 d D
C30 C 0.410(3) 0.972(2) 0.4286(12) 0.099(2) Uani 1 1 d D
C31 C 0.718(5) 1.0013(18) 0.447(2) 0.111(3) Uani 1 1 d D
C32 C 0.804(3) 0.880(4) 0.433(2) 0.111(3) Uani 1 1 d D
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 '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'
S S 0.1246 0.1234 '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
I3 Ag1 I2 125.43(13) . .
I3 Ag1 I1 123.98(13) . .
I2 Ag1 I1 108.96(11) . .
I5 Ag2 I4 115.61(10) . .
I5 Ag2 I2 113.89(11) . .
I4 Ag2 I2 104.78(10) . .
I5 Ag2 I1 109.85(10) . .
I4 Ag2 I1 109.21(10) . .
I2 Ag2 I1 102.61(9) . .
I6 Ag3 I7 122.39(12) . .
I6 Ag3 I4 112.49(11) . .
I7 Ag3 I4 106.02(11) . .
I6 Ag3 I1 103.53(11) . .
I7 Ag3 I1 105.91(11) . .
I4 Ag3 I1 105.01(10) . .
I8 Ag4 I6 116.93(11) . .
I8 Ag4 I5 110.64(11) . .
I6 Ag4 I5 113.96(11) . .
I8 Ag4 I4 100.65(11) . .
I6 Ag4 I4 106.82(9) . .
I5 Ag4 I4 106.31(9) . .
I10 Ag5 I8 121.90(12) . .
I10 Ag5 I4 117.20(12) . .
I8 Ag5 I4 104.87(11) . .
I10 Ag5 I9 105.99(11) . .
I8 Ag5 I9 109.56(12) . .
I4 Ag5 I9 93.54(9) . .
I11 Ag6 I10 113.89(11) . .
I11 Ag6 I12 114.86(10) . .
I10 Ag6 I12 109.78(10) . .
I11 Ag6 I9 111.76(9) . .
I10 Ag6 I9 104.56(10) . .
I12 Ag6 I9 100.74(9) . .
I7 Ag7 I11 124.81(12) . .
I7 Ag7 I9 108.25(11) . .
I11 Ag7 I9 110.34(11) . .
I7 Ag7 I13 103.24(11) . .
I11 Ag7 I13 107.06(11) . .
I9 Ag7 I13 100.07(9) . .
I14 Ag8 I13 122.37(11) . .
I14 Ag8 I9 107.50(9) . .
I13 Ag8 I9 107.74(9) . .
I14 Ag8 I12 112.04(9) . .
I13 Ag8 I12 103.54(9) . .
I9 Ag8 I12 101.70(9) . .
I16 Ag9 I14 120.30(11) . .
I16 Ag9 I15 110.70(10) . .
I14 Ag9 I15 103.78(10) . .
I16 Ag9 I12 102.00(10) . .
I14 Ag9 I12 108.94(10) . .
I15 Ag9 I12 111.19(9) . .
I17 Ag10 I13 126.33(10) . .
I17 Ag10 I12 109.37(9) . .
I13 Ag10 I12 106.54(9) . .
I17 Ag10 I15 97.49(9) . .
I13 Ag10 I15 101.01(9) . .
I12 Ag10 I15 116.11(9) . .
I17 Ag11 I16 111.82(10) 2_765 .
I17 Ag11 I15 114.28(10) 2_765 .
I16 Ag11 I15 111.19(9) . .
I17 Ag11 I15 98.71(9) 2_765 2_765
I16 Ag11 I15 114.50(10) . 2_765
I15 Ag11 I15 105.71(9) . 2_765
Ag1 I1 Ag2 59.75(9) . .
Ag1 I1 Ag3 125.42(10) . .
Ag2 I1 Ag3 65.92(8) . .
Ag1 I2 Ag2 60.95(9) . .
Ag2 I4 Ag3 69.01(9) . .
Ag2 I4 Ag5 127.80(10) . .
Ag3 I4 Ag5 105.08(10) . .
Ag2 I4 Ag4 61.65(8) . .
Ag3 I4 Ag4 64.41(8) . .
Ag5 I4 Ag4 69.21(8) . .
Ag2 I5 Ag4 65.40(8) . .
Ag3 I6 Ag4 70.03(9) . .
Ag7 I7 Ag3 91.14(11) . .
Ag5 I8 Ag4 76.37(10) . .
Ag8 I9 Ag5 137.91(9) . .
Ag8 I9 Ag6 74.01(9) . .
Ag5 I9 Ag6 66.71(9) . .
Ag8 I9 Ag7 74.11(9) . .
Ag5 I9 Ag7 100.51(9) . .
Ag6 I9 Ag7 63.85(8) . .
Ag5 I10 Ag6 70.89(9) . .
Ag6 I11 Ag7 68.90(9) . .
Ag10 I12 Ag6 106.38(9) . .
Ag10 I12 Ag8 64.93(8) . .
Ag6 I12 Ag8 72.87(8) . .
Ag10 I12 Ag9 65.06(8) . .
Ag6 I12 Ag9 131.30(8) . .
Ag8 I12 Ag9 59.95(7) . .
Ag10 I13 Ag8 67.16(8) . .
Ag10 I13 Ag7 110.74(9) . .
Ag8 I13 Ag7 73.52(8) . .
Ag9 I14 Ag8 65.96(8) . .
Ag11 I15 Ag11 74.29(9) . 2_765
Ag11 I15 Ag9 66.91(8) . .
Ag11 I15 Ag9 113.01(9) 2_765 .
Ag11 I15 Ag10 107.30(8) . .
Ag11 I15 Ag10 78.03(8) 2_765 .
Ag9 I15 Ag10 65.22(8) . .
Ag9 I16 Ag11 71.20(9) . .
Ag10 I17 Ag11 85.04(9) . 2_765
O7 La1 O3 116.0(10) . .
O7 La1 O1 70.1(11) . .
O3 La1 O1 69.6(12) . .
O7 La1 O6 78.4(9) . .
O3 La1 O6 153.1(10) . .
O1 La1 O6 137.0(10) . .
O7 La1 O4 151.1(9) . .
O3 La1 O4 72.7(10) . .
O1 La1 O4 89.5(12) . .
O6 La1 O4 106.3(10) . .
O7 La1 O2 133.9(9) . .
O3 La1 O2 85.2(10) . .
O1 La1 O2 152.5(10) . .
O6 La1 O2 69.4(8) . .
O4 La1 O2 71.9(9) . .
O7 La1 O5 72.7(8) . .
O3 La1 O5 76.2(9) . .
O1 La1 O5 109.1(11) . .
O6 La1 O5 87.8(9) . .
O4 La1 O5 135.1(8) . .
O2 La1 O5 74.0(8) . .
O7 La1 O8 85.2(8) . .
O3 La1 O8 125.3(9) . .
O1 La1 O8 72.6(11) . .
O6 La1 O8 76.3(8) . .
O4 La1 O8 68.9(8) . .
O2 La1 O8 116.6(8) . .
O5 La1 O8 155.1(7) . .
O15 La2 O13 146.5(9) . .
O15 La2 O10 74.9(9) . .
O13 La2 O10 78.6(11) . .
O15 La2 O12 77.1(8) . .
O13 La2 O12 75.8(8) . .
O10 La2 O12 72.7(7) . .
O15 La2 O11 140.8(8) . .
O13 La2 O11 71.3(10) . .
O10 La2 O11 141.7(8) . .
O12 La2 O11 120.0(8) . .
O15 La2 O9 77.9(8) . .
O13 La2 O9 111.7(10) . .
O10 La2 O9 139.6(7) . .
O12 La2 O9 72.5(6) . .
O11 La2 O9 75.2(7) . .
O15 La2 O16 74.6(8) . .
O13 La2 O16 137.8(8) . .
O10 La2 O16 120.7(9) . .
O12 La2 O16 143.1(7) . .
O11 La2 O16 72.7(9) . .
O9 La2 O16 78.8(7) . .
O15 La2 O14 109.8(8) . .
O13 La2 O14 79.8(9) . .
O10 La2 O14 71.1(7) . .
O12 La2 O14 139.5(6) . .
O11 La2 O14 80.6(7) . .
O9 La2 O14 147.5(6) . .
O16 La2 O14 73.5(6) . .
S1A O1 S1B 45.7(11) . .
S1A O1 La1 164(3) . .
S1B O1 La1 150(2) . .
S2A O2 S2B 47.9(15) . .
S2A O2 La1 150.7(18) . .
S2B O2 La1 157(2) . .
S3B O3 S3A 53.6(12) . .
S3B O3 La1 153.9(19) . .
S3A O3 La1 148(2) . .
S4B O4 S4A 48.6(14) . .
S4B O4 La1 150.7(17) . .
S4A O4 La1 143(2) . .
S5A O5 S5B 47.8(9) . .
S5A O5 La1 161.1(16) . .
S5B O5 La1 145.3(16) . .
S6A O6 S6B 52.0(9) . .
S6A O6 La1 141.3(14) . .
S6B O6 La1 156.5(17) . .
S7B O7 S7A 47.0(9) . .
S7B O7 La1 150.6(17) . .
S7A O7 La1 162.1(18) . .
S8A O8 S8B 60.5(12) . .
S8A O8 La1 141.7(14) . .
S8B O8 La1 145.4(14) . .
S9 O9 La2 132.4(13) . .
S10 O10 La2 155.3(15) . .
S11B O11 S11A 48.3(12) . .
S11B O11 La2 164.9(19) . .
S11A O11 La2 133.5(14) . .
S12A O12 S12B 45.7(14) . .
S12A O12 La2 167.7(19) . .
S12B O12 La2 140.3(13) . .
S13B O13 S13A 47.9(10) . .
S13B O13 La2 144.1(15) . .
S13A O13 La2 160(2) . .
S14B O14 S14A 44.8(10) . .
S14B O14 La2 132.6(14) . .
S14A O14 La2 151.1(13) . .
S15A O15 S15B 53.9(9) . .
S15A O15 La2 149.1(15) . .
S15B O15 La2 149.8(15) . .
S16A O16 S16B 45.4(12) . .
S16A O16 La2 173.0(19) . .
S16B O16 La2 139.7(12) . .
S1B S1A O1 67.7(12) . .
S1B S1A C1 71.0(13) . .
O1 S1A C1 108.4(16) . .
S1B S1A C2 72.1(12) . .
O1 S1A C2 106.2(14) . .
C1 S1A C2 113(2) . .
S1A S1B O1 66.7(13) . .
S1A S1B C1 70.5(13) . .
O1 S1B C1 107.6(16) . .
S1A S1B C2 69.8(13) . .
O1 S1B C2 104.5(15) . .
C1 S1B C2 112(2) . .
S2B S2A O2 67.2(13) . .
S2B S2A C3 69.6(12) . .
O2 S2A C3 106.9(15) . .
S2B S2A C4 69.8(13) . .
O2 S2A C4 105.9(17) . .
C3 S2A C4 111(3) . .
S2A S2B O2 64.9(13) . .
S2A S2B C3 70.4(14) . .
O2 S2B C3 106.1(16) . .
S2A S2B C4 70.4(15) . .
O2 S2B C4 105.0(16) . .
C3 S2B C4 111(3) . .
S3B S3A O3 63.1(11) . .
S3B S3A C6 68.0(12) . .
O3 S3A C6 109(2) . .
S3B S3A C5 68.3(11) . .
O3 S3A C5 105(2) . .
C6 S3A C5 101(2) . .
S3A S3B O3 63.4(11) . .
S3A S3B C6 66.8(11) . .
O3 S3B C6 109(2) . .
S3A S3B C5 67.2(11) . .
O3 S3B C5 104.5(18) . .
C6 S3B C5 99.5(19) . .
S4B S4A O4 65.2(13) . .
S4B S4A C7 69.3(13) . .
O4 S4A C7 108(2) . .
S4B S4A C8 68.9(13) . .
O4 S4A C8 105(2) . .
C7 S4A C8 107(2) . .
S4A S4B O4 66.1(11) . .
S4A S4B C7 69.7(13) . .
O4 S4B C7 108.7(19) . .
S4A S4B C8 70.3(12) . .
O4 S4B C8 106.7(19) . .
C7 S4B C8 107(3) . .
S5B S5A O5 67.3(12) . .
S5B S5A C9 71.4(12) . .
O5 S5A C9 111.5(15) . .
S5B S5A C10 71.0(12) . .
O5 S5A C10 111.6(14) . .
C9 S5A C10 103.1(18) . .
S5A S5B O5 64.9(10) . .
S5A S5B C10 70.3(11) . .
O5 S5B C10 109.8(13) . .
S5A S5B C9 70.0(11) . .
O5 S5B C9 109.3(13) . .
C10 S5B C9 102.1(16) . .
S6B S6A O6 64.8(9) . .
S6B S6A C11 68.9(11) . .
O6 S6A C11 109.5(18) . .
S6B S6A C12 67.5(10) . .
O6 S6A C12 111.3(15) . .
C11 S6A C12 95.5(16) . .
S6A S6B O6 63.2(9) . .
S6A S6B C12 69.5(10) . .
O6 S6B C12 111.6(15) . .
S6A S6B C11 68.1(10) . .
O6 S6B C11 108.1(15) . .
C12 S6B C11 96.0(16) . .
S7B S7A O7 65.1(10) . .
S7B S7A C14 72.7(11) . .
O7 S7A C14 118.7(18) . .
S7B S7A C13 69.8(12) . .
O7 S7A C13 112.9(17) . .
C14 S7A C13 90.1(19) . .
S7A S7B O7 67.8(11) . .
S7A S7B C13 71.5(12) . .
O7 S7B C13 115.6(18) . .
S7A S7B C14 68.8(11) . .
O7 S7B C14 117.9(18) . .
C13 S7B C14 89(2) . .
O8 S8A S8B 59.8(10) . .
O8 S8A C15 106.6(17) . .
S8B S8A C15 64.7(10) . .
O8 S8A C16 93.9(18) . .
S8B S8A C16 64.2(10) . .
C15 S8A C16 102(2) . .
O8 S8B S8A 59.7(9) . .
O8 S8B C15 105.3(14) . .
S8A S8B C15 63.0(9) . .
O8 S8B C16 93.7(18) . .
S8A S8B C16 64.0(10) . .
C15 S8B C16 100.5(18) . .
O9 S9 C17 102.1(17) . .
O9 S9 C18 102.9(17) . .
C17 S9 C18 94(2) . .
O10 S10 C20 113.4(16) . .
O10 S10 C19 108.0(14) . .
C20 S10 C19 98(2) . .
S11B S11A O11 65.5(11) . .
S11B S11A C22 72.9(13) . .
O11 S11A C22 113(2) . .
S11B S11A C21 69.1(12) . .
O11 S11A C21 113.6(18) . .
C22 S11A C21 95.9(19) . .
S11A S11B O11 66.2(11) . .
S11A S11B C21 70.5(13) . .
O11 S11B C21 114.9(18) . .
S11A S11B C22 66.5(11) . .
O11 S11B C22 109.7(18) . .
C21 S11B C22 93.9(19) . .
S12B S12A O12 67.2(14) . .
S12B S12A C23 70.8(14) . .
O12 S12A C23 117(2) . .
S12B S12A C24 70.8(14) . .
O12 S12A C24 107(2) . .
C23 S12A C24 101(2) . .
S12A S12B O12 67.1(11) . .
S12A S12B C23 70.7(14) . .
O12 S12B C23 117.1(19) . .
S12A S12B C24 70.8(14) . .
O12 S12B C24 106.5(19) . .
C23 S12B C24 101(2) . .
S13B S13A O13 65.8(11) . .
S13B S13A C25 70.5(13) . .
O13 S13A C25 113(2) . .
S13B S13A C26 69.1(12) . .
O13 S13A C26 108(2) . .
C25 S13A C26 101(2) . .
S13A S13B O13 66.3(10) . .
S13A S13B C26 70.6(12) . .
O13 S13B C26 108.9(19) . .
S13A S13B C25 69.1(13) . .
O13 S13B C25 112(2) . .
C26 S13B C25 101(2) . .
S14B S14A O14 67.2(11) . .
S14B S14A C28 70.2(13) . .
O14 S14A C28 109.6(18) . .
S14B S14A C27 69.9(12) . .
O14 S14A C27 107.0(15) . .
C28 S14A C27 107.3(18) . .
S14A S14B O14 67.9(12) . .
S14A S14B C28 71.5(13) . .
O14 S14B C28 110.7(18) . .
S14A S14B C27 71.9(12) . .
O14 S14B C27 108.5(15) . .
C28 S14B C27 109.0(19) . .
S15B S15A O15 63.4(9) . .
S15B S15A C30 69.1(11) . .
O15 S15A C30 103.1(19) . .
S15B S15A C29 67.8(10) . .
O15 S15A C29 111.1(17) . .
C30 S15A C29 101(2) . .
S15A S15B O15 62.7(10) . .
S15A S15B C29 68.2(10) . .
O15 S15B C29 110.9(18) . .
S15A S15B C30 67.0(11) . .
O15 S15B C30 101.5(18) . .
C29 S15B C30 101(2) . .
S16B S16A O16 69.4(14) . .
S16B S16A C31 72.8(14) . .
O16 S16A C31 113(3) . .
S16B S16A C32 70.6(14) . .
O16 S16A C32 113(3) . .
C31 S16A C32 103(3) . .
S16A S16B O16 65.2(11) . .
S16A S16B C32 71.5(13) . .
O16 S16B C32 111(2) . .
S16A S16B C31 69.3(13) . .
O16 S16B C31 109(2) . .
C32 S16B C31 102(3) . .
S1A C1 S1B 38.5(9) . .
S1A C2 S1B 38.2(9) . .
S2B C3 S2A 39.9(13) . .
S2B C4 S2A 39.8(13) . .
S3A C5 S3B 44.5(10) . .
S3A C6 S3B 45.2(10) . .
S4B C7 S4A 40.9(12) . .
S4B C8 S4A 40.7(12) . .
S5A C9 S5B 38.6(8) . .
S5A C10 S5B 38.7(8) . .
S6A C11 S6B 43.0(8) . .
S6B C12 S6A 42.9(7) . .
S7B C13 S7A 38.6(7) . .
S7A C14 S7B 38.5(7) . .
S8A C15 S8B 52.3(11) . .
S8A C16 S8B 51.8(11) . .
S9 C17 H17A 109.5 . .
S9 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
S9 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
S9 C18 H18A 109.5 . .
S9 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
S9 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
S10 C19 H19A 109.5 . .
S10 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
S10 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
S10 C20 H20A 109.5 . .
S10 C20 H20B 109.4 . .
H20A C20 H20B 109.5 . .
S10 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
S11B C21 S11A 40.4(10) . .
S11A C22 S11B 40.5(10) . .
S12A C23 S12B 38.5(12) . .
S12B C24 S12A 38.3(12) . .
S13A C25 S13B 40.4(9) . .
S13B C26 S13A 40.3(9) . .
S14B C27 S14A 38.2(8) . .
S14B C28 S14A 38.3(8) . .
S15B C29 S15A 44.0(7) . .
S15A C30 S15B 43.9(7) . .
S16A C31 S16B 37.9(11) . .
S16B C32 S16A 37.9(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 I3 2.659(4) .
Ag1 I2 2.788(3) .
Ag1 I1 2.828(3) .
Ag2 I5 2.805(3) .
Ag2 I4 2.853(3) .
Ag2 I2 2.897(3) .
Ag2 I1 2.959(3) .
Ag3 I6 2.802(3) .
Ag3 I7 2.807(3) .
Ag3 I4 2.920(3) .
Ag3 I1 3.052(4) .
Ag4 I8 2.788(4) .
Ag4 I6 2.809(3) .
Ag4 I5 2.868(3) .
Ag4 I4 3.113(3) .
Ag5 I10 2.785(4) .
Ag5 I8 2.786(4) .
Ag5 I4 2.949(3) .
Ag5 I9 2.955(3) .
Ag6 I11 2.781(3) .
Ag6 I10 2.829(3) .
Ag6 I12 2.927(3) .
Ag6 I9 2.967(3) .
Ag7 I7 2.784(3) .
Ag7 I11 2.797(3) .
Ag7 I9 3.000(3) .
Ag7 I13 3.041(4) .
Ag8 I14 2.804(3) .
Ag8 I13 2.865(3) .
Ag8 I9 2.867(3) .
Ag8 I12 2.986(3) .
Ag9 I16 2.759(3) .
Ag9 I14 2.791(3) .
Ag9 I15 2.975(3) .
Ag9 I12 3.106(3) .
Ag10 I17 2.787(3) .
Ag10 I13 2.842(3) .
Ag10 I12 2.893(3) .
Ag10 I15 3.020(3) .
Ag11 I17 2.789(3) 2_765
Ag11 I16 2.811(3) .
Ag11 I15 2.907(3) .
Ag11 I15 2.966(3) 2_765
I15 Ag11 2.966(3) 2_765
I17 Ag11 2.789(3) 2_765
La1 O7 2.328(16) .
La1 O3 2.332(17) .
La1 O1 2.390(17) .
La1 O6 2.391(15) .
La1 O4 2.402(17) .
La1 O2 2.427(16) .
La1 O5 2.435(14) .
La1 O8 2.440(15) .
La2 O15 2.358(14) .
La2 O13 2.403(17) .
La2 O10 2.413(15) .
La2 O12 2.436(15) .
La2 O11 2.439(16) .
La2 O9 2.446(18) .
La2 O16 2.469(14) .
La2 O14 2.495(16) .
O1 S1A 1.471(17) .
O1 S1B 1.482(19) .
O2 S2A 1.458(16) .
O2 S2B 1.485(18) .
O3 S3B 1.488(16) .
O3 S3A 1.493(18) .
O4 S4B 1.481(15) .
O4 S4A 1.492(18) .
O5 S5A 1.409(16) .
O5 S5B 1.437(15) .
O6 S6A 1.470(17) .
O6 S6B 1.490(14) .
O7 S7B 1.445(17) .
O7 S7A 1.476(16) .
O8 S8A 1.529(17) .
O8 S8B 1.531(16) .
O9 S9 1.507(14) .
O10 S10 1.409(15) .
O11 S11B 1.480(16) .
O11 S11A 1.487(17) .
O12 S12A 1.485(18) .
O12 S12B 1.486(14) .
O13 S13B 1.492(17) .
O13 S13A 1.498(17) .
O14 S14B 1.503(16) .
O14 S14A 1.510(16) .
O15 S15A 1.451(16) .
O15 S15B 1.460(16) .
O16 S16A 1.452(19) .
O16 S16B 1.498(15) .
S1A S1B 1.15(3) .
S1A C1 1.733(19) .
S1A C2 1.740(18) .
S1B C1 1.739(19) .
S1B C2 1.764(19) .
S2A S2B 1.20(4) .
S2A C3 1.756(18) .
S2A C4 1.76(2) .
S2B C3 1.747(19) .
S2B C4 1.75(2) .
S3A S3B 1.34(3) .
S3A C6 1.74(2) .
S3A C5 1.767(18) .
S3B C6 1.755(19) .
S3B C5 1.780(18) .
S4A S4B 1.22(3) .
S4A C7 1.75(2) .
S4A C8 1.766(19) .
S4B C7 1.748(19) .
S4B C8 1.751(18) .
S5A S5B 1.15(2) .
S5A C9 1.735(18) .
S5A C10 1.736(17) .
S5B C10 1.743(16) .
S5B C9 1.750(16) .
S6A S6B 1.30(2) .
S6A C11 1.764(18) .
S6A C12 1.784(17) .
S6B C12 1.759(17) .
S6B C11 1.773(17) .
S7A S7B 1.166(18) .
S7A C14 1.748(17) .
S7A C13 1.772(18) .
S7B C13 1.753(18) .
S7B C14 1.790(17) .
S8A S8B 1.54(3) .
S8A C15 1.735(18) .
S8A C16 1.761(19) .
S8B C15 1.761(17) .
S8B C16 1.764(19) .
S9 C17 1.719(19) .
S9 C18 1.754(18) .
S10 C20 1.698(18) .
S10 C19 1.747(18) .
S11A S11B 1.21(3) .
S11A C22 1.712(18) .
S11A C21 1.765(18) .
S11B C21 1.749(19) .
S11B C22 1.785(19) .
S12A S12B 1.15(3) .
S12A C23 1.75(2) .
S12A C24 1.757(19) .
S12B C23 1.750(19) .
S12B C24 1.76(2) .
S13A S13B 1.21(2) .
S13A C25 1.747(19) .
S13A C26 1.767(19) .
S13B C26 1.751(19) .
S13B C25 1.763(19) .
S14A S14B 1.15(2) .
S14A C28 1.758(19) .
S14A C27 1.766(18) .
S14B C28 1.744(19) .
S14B C27 1.744(18) .
S15A S15B 1.320(19) .
S15A C30 1.752(18) .
S15A C29 1.764(17) .
S15B C29 1.759(18) .
S15B C30 1.778(19) .
S16A S16B 1.14(3) .
S16A C31 1.736(19) .
S16A C32 1.76(2) .
S16B C32 1.750(19) .
S16B C31 1.77(2) .
C17 H17A 0.9602 .
C17 H17B 0.9602 .
C17 H17C 0.9602 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
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
I3 Ag1 I1 Ag2 152.6(2) . .
I2 Ag1 I1 Ag2 -41.32(11) . .
I3 Ag1 I1 Ag3 158.81(16) . .
I2 Ag1 I1 Ag3 -35.1(2) . .
I5 Ag2 I1 Ag1 -83.45(12) . .
I4 Ag2 I1 Ag1 148.79(13) . .
I2 Ag2 I1 Ag1 38.01(11) . .
I5 Ag2 I1 Ag3 102.10(10) . .
I4 Ag2 I1 Ag3 -25.66(9) . .
I2 Ag2 I1 Ag3 -136.44(11) . .
I6 Ag3 I1 Ag1 -99.60(15) . .
I7 Ag3 I1 Ag1 130.48(14) . .
I4 Ag3 I1 Ag1 18.55(17) . .
I6 Ag3 I1 Ag2 -93.72(11) . .
I7 Ag3 I1 Ag2 136.37(11) . .
I4 Ag3 I1 Ag2 24.44(9) . .
I3 Ag1 I2 Ag2 -152.4(2) . .
I1 Ag1 I2 Ag2 41.79(11) . .
I5 Ag2 I2 Ag1 80.54(13) . .
I4 Ag2 I2 Ag1 -152.18(13) . .
I1 Ag2 I2 Ag1 -38.11(11) . .
I5 Ag2 I4 Ag3 -98.19(12) . .
I2 Ag2 I4 Ag3 135.60(11) . .
I1 Ag2 I4 Ag3 26.26(9) . .
I5 Ag2 I4 Ag5 -5.03(16) . .
I2 Ag2 I4 Ag5 -131.25(11) . .
I1 Ag2 I4 Ag5 119.42(12) . .
I5 Ag2 I4 Ag4 -26.76(9) . .
I2 Ag2 I4 Ag4 -152.98(11) . .
I1 Ag2 I4 Ag4 97.69(10) . .
I6 Ag3 I4 Ag2 87.11(12) . .
I7 Ag3 I4 Ag2 -136.66(13) . .
I1 Ag3 I4 Ag2 -24.80(9) . .
I6 Ag3 I4 Ag5 -38.09(15) . .
I7 Ag3 I4 Ag5 98.14(12) . .
I1 Ag3 I4 Ag5 -150.01(10) . .
I6 Ag3 I4 Ag4 19.46(10) . .
I7 Ag3 I4 Ag4 155.69(14) . .
I1 Ag3 I4 Ag4 -92.45(10) . .
I10 Ag5 I4 Ag2 140.63(12) . .
I8 Ag5 I4 Ag2 1.94(16) . .
I9 Ag5 I4 Ag2 -109.37(11) . .
I10 Ag5 I4 Ag3 -144.47(11) . .
I8 Ag5 I4 Ag3 76.84(13) . .
I9 Ag5 I4 Ag3 -34.47(11) . .
I10 Ag5 I4 Ag4 161.03(13) . .
I8 Ag5 I4 Ag4 22.34(10) . .
I9 Ag5 I4 Ag4 -88.97(9) . .
I8 Ag4 I4 Ag2 139.84(11) . .
I6 Ag4 I4 Ag2 -97.60(11) . .
I5 Ag4 I4 Ag2 24.45(9) . .
I8 Ag4 I4 Ag3 -141.28(12) . .
I6 Ag4 I4 Ag3 -18.72(10) . .
I5 Ag4 I4 Ag3 103.33(12) . .
I8 Ag4 I4 Ag5 -21.93(9) . .
I6 Ag4 I4 Ag5 100.64(10) . .
I5 Ag4 I4 Ag5 -137.32(11) . .
I4 Ag2 I5 Ag4 28.24(10) . .
I2 Ag2 I5 Ag4 149.68(12) . .
I1 Ag2 I5 Ag4 -95.88(10) . .
I8 Ag4 I5 Ag2 -132.47(13) . .
I6 Ag4 I5 Ag2 93.35(11) . .
I4 Ag4 I5 Ag2 -24.05(9) . .
I7 Ag3 I6 Ag4 -148.81(16) . .
I4 Ag3 I6 Ag4 -20.76(11) . .
I1 Ag3 I6 Ag4 92.07(10) . .
I8 Ag4 I6 Ag3 130.44(14) . .
I5 Ag4 I6 Ag3 -98.38(13) . .
I4 Ag4 I6 Ag3 18.71(10) . .
I11 Ag7 I7 Ag3 92.17(16) . .
I9 Ag7 I7 Ag3 -40.30(12) . .
I13 Ag7 I7 Ag3 -145.77(10) . .
I6 Ag3 I7 Ag7 90.00(16) . .
I4 Ag3 I7 Ag7 -40.81(12) . .
I1 Ag3 I7 Ag7 -152.03(10) . .
I10 Ag5 I8 Ag4 -160.34(14) . .
I4 Ag5 I8 Ag4 -24.09(10) . .
I9 Ag5 I8 Ag4 75.23(11) . .
I6 Ag4 I8 Ag5 -92.85(13) . .
I5 Ag4 I8 Ag5 134.46(11) . .
I4 Ag4 I8 Ag5 22.35(10) . .
I14 Ag8 I9 Ag5 -121.02(13) . .
I13 Ag8 I9 Ag5 105.33(14) . .
I12 Ag8 I9 Ag5 -3.17(16) . .
I14 Ag8 I9 Ag6 -142.45(10) . .
I13 Ag8 I9 Ag6 83.90(9) . .
I12 Ag8 I9 Ag6 -24.60(8) . .
I14 Ag8 I9 Ag7 150.82(10) . .
I13 Ag8 I9 Ag7 17.17(9) . .
I12 Ag8 I9 Ag7 -91.33(9) . .
I10 Ag5 I9 Ag8 3.74(18) . .
I8 Ag5 I9 Ag8 136.98(13) . .
I4 Ag5 I9 Ag8 -115.87(12) . .
I10 Ag5 I9 Ag6 26.22(10) . .
I8 Ag5 I9 Ag6 159.46(12) . .
I4 Ag5 I9 Ag6 -93.39(9) . .
I10 Ag5 I9 Ag7 81.62(12) . .
I8 Ag5 I9 Ag7 -145.13(11) . .
I4 Ag5 I9 Ag7 -37.98(10) . .
I11 Ag6 I9 Ag8 -97.40(11) . .
I10 Ag6 I9 Ag8 138.94(10) . .
I12 Ag6 I9 Ag8 25.04(8) . .
I11 Ag6 I9 Ag5 98.06(11) . .
I10 Ag6 I9 Ag5 -25.60(9) . .
I12 Ag6 I9 Ag5 -139.50(10) . .
I11 Ag6 I9 Ag7 -17.57(10) . .
I10 Ag6 I9 Ag7 -141.23(12) . .
I12 Ag6 I9 Ag7 104.87(10) . .
I7 Ag7 I9 Ag8 -123.27(12) . .
I11 Ag7 I9 Ag8 96.96(12) . .
I13 Ag7 I9 Ag8 -15.60(8) . .
I7 Ag7 I9 Ag5 99.68(12) . .
I11 Ag7 I9 Ag5 -40.09(13) . .
I13 Ag7 I9 Ag5 -152.65(9) . .
I7 Ag7 I9 Ag6 157.06(14) . .
I11 Ag7 I9 Ag6 17.29(10) . .
I13 Ag7 I9 Ag6 -95.27(10) . .
I8 Ag5 I10 Ag6 -152.82(15) . .
I4 Ag5 I10 Ag6 75.90(12) . .
I9 Ag5 I10 Ag6 -26.77(10) . .
I11 Ag6 I10 Ag5 -95.82(12) . .
I12 Ag6 I10 Ag5 133.80(11) . .
I9 Ag6 I10 Ag5 26.46(10) . .
I10 Ag6 I11 Ag7 136.37(13) . .
I12 Ag6 I11 Ag7 -95.81(12) . .
I9 Ag6 I11 Ag7 18.15(10) . .
I7 Ag7 I11 Ag6 -149.42(17) . .
I9 Ag7 I11 Ag6 -17.77(10) . .
I13 Ag7 I11 Ag6 90.22(10) . .
I17 Ag10 I12 Ag6 -110.09(10) . .
I13 Ag10 I12 Ag6 29.32(11) . .
I15 Ag10 I12 Ag6 140.88(9) . .
I17 Ag10 I12 Ag8 -171.63(11) . .
I13 Ag10 I12 Ag8 -32.22(8) . .
I15 Ag10 I12 Ag8 79.33(9) . .
I17 Ag10 I12 Ag9 121.45(10) . .
I13 Ag10 I12 Ag9 -99.14(10) . .
I15 Ag10 I12 Ag9 12.41(8) . .
I11 Ag6 I12 Ag10 39.68(12) . .
I10 Ag6 I12 Ag10 169.54(10) . .
I9 Ag6 I12 Ag10 -80.57(10) . .
I11 Ag6 I12 Ag8 96.12(11) . .
I10 Ag6 I12 Ag8 -134.02(11) . .
I9 Ag6 I12 Ag8 -24.13(8) . .
I11 Ag6 I12 Ag9 110.60(13) . .
I10 Ag6 I12 Ag9 -119.54(13) . .
I9 Ag6 I12 Ag9 -9.65(14) . .
I14 Ag8 I12 Ag10 -102.32(11) . .
I13 Ag8 I12 Ag10 31.43(8) . .
I9 Ag8 I12 Ag10 143.14(10) . .
I14 Ag8 I12 Ag6 139.64(11) . .
I13 Ag8 I12 Ag6 -86.60(9) . .
I9 Ag8 I12 Ag6 25.11(8) . .
I14 Ag8 I12 Ag9 -27.82(9) . .
I13 Ag8 I12 Ag9 105.94(10) . .
I9 Ag8 I12 Ag9 -142.35(10) . .
I16 Ag9 I12 Ag10 -130.16(10) . .
I14 Ag9 I12 Ag10 101.64(11) . .
I15 Ag9 I12 Ag10 -12.13(8) . .
I16 Ag9 I12 Ag6 139.53(11) . .
I14 Ag9 I12 Ag6 11.34(15) . .
I15 Ag9 I12 Ag6 -102.44(12) . .
I16 Ag9 I12 Ag8 155.56(11) . .
I14 Ag9 I12 Ag8 27.36(9) . .
I15 Ag9 I12 Ag8 -86.41(10) . .
I17 Ag10 I13 Ag8 163.47(14) . .
I12 Ag10 I13 Ag8 33.10(9) . .
I15 Ag10 I13 Ag8 -88.60(9) . .
I17 Ag10 I13 Ag7 102.73(13) . .
I12 Ag10 I13 Ag7 -27.64(12) . .
I15 Ag10 I13 Ag7 -149.34(9) . .
I14 Ag8 I13 Ag10 96.11(12) . .
I9 Ag8 I13 Ag10 -138.68(10) . .
I12 Ag8 I13 Ag10 -31.45(8) . .
I14 Ag8 I13 Ag7 -142.19(12) . .
I9 Ag8 I13 Ag7 -16.98(9) . .
I12 Ag8 I13 Ag7 90.24(9) . .
I7 Ag7 I13 Ag10 -175.72(9) . .
I11 Ag7 I13 Ag10 -42.43(12) . .
I9 Ag7 I13 Ag10 72.65(11) . .
I7 Ag7 I13 Ag8 127.29(10) . .
I11 Ag7 I13 Ag8 -99.41(10) . .
I9 Ag7 I13 Ag8 15.67(8) . .
I16 Ag9 I14 Ag8 -144.71(14) . .
I15 Ag9 I14 Ag8 90.90(10) . .
I12 Ag9 I14 Ag8 -27.63(9) . .
I13 Ag8 I14 Ag9 -94.26(12) . .
I9 Ag8 I14 Ag9 140.42(11) . .
I12 Ag8 I14 Ag9 29.50(10) . .
I17 Ag11 I15 Ag11 107.43(12) 2_765 2_765
I16 Ag11 I15 Ag11 -124.82(13) . 2_765
I15 Ag11 I15 Ag11 0.0 2_765 2_765
I17 Ag11 I15 Ag9 -128.41(12) 2_765 .
I16 Ag11 I15 Ag9 -0.67(9) . .
I15 Ag11 I15 Ag9 124.15(10) 2_765 .
I17 Ag11 I15 Ag10 179.17(9) 2_765 .
I16 Ag11 I15 Ag10 -53.08(11) . .
I15 Ag11 I15 Ag10 71.74(9) 2_765 .
I16 Ag9 I15 Ag11 0.68(9) . .
I14 Ag9 I15 Ag11 131.07(11) . .
I12 Ag9 I15 Ag11 -111.96(10) . .
I16 Ag9 I15 Ag11 60.61(12) . 2_765
I14 Ag9 I15 Ag11 -168.99(9) . 2_765
I12 Ag9 I15 Ag11 -52.02(11) . 2_765
I16 Ag9 I15 Ag10 124.24(11) . .
I14 Ag9 I15 Ag10 -105.37(10) . .
I12 Ag9 I15 Ag10 11.60(7) . .
I17 Ag10 I15 Ag11 -75.46(10) . .
I13 Ag10 I15 Ag11 155.17(8) . .
I12 Ag10 I15 Ag11 40.45(12) . .
I17 Ag10 I15 Ag11 -6.32(8) . 2_765
I13 Ag10 I15 Ag11 -135.68(9) . 2_765
I12 Ag10 I15 Ag11 109.59(10) . 2_765
I17 Ag10 I15 Ag9 -128.86(10) . .
I13 Ag10 I15 Ag9 101.77(9) . .
I12 Ag10 I15 Ag9 -12.95(8) . .
I14 Ag9 I16 Ag11 -121.73(14) . .
I15 Ag9 I16 Ag11 -0.68(9) . .
I12 Ag9 I16 Ag11 117.71(10) . .
I17 Ag11 I16 Ag9 129.77(11) 2_765 .
I15 Ag11 I16 Ag9 0.70(9) . .
I15 Ag11 I16 Ag9 -119.03(11) 2_765 .
I13 Ag10 I17 Ag11 116.22(12) . 2_765
I12 Ag10 I17 Ag11 -114.51(10) . 2_765
I15 Ag10 I17 Ag11 6.60(9) . 2_765
O7 La1 O1 S1A -142(8) . .
O3 La1 O1 S1A 89(7) . .
O6 La1 O1 S1A -97(7) . .
O4 La1 O1 S1A 17(7) . .
O2 La1 O1 S1A 64(9) . .
O5 La1 O1 S1A 155(7) . .
O8 La1 O1 S1A -51(7) . .
O7 La1 O1 S1B 30(4) . .
O3 La1 O1 S1B -99(4) . .
O6 La1 O1 S1B 76(5) . .
O4 La1 O1 S1B -171(4) . .
O2 La1 O1 S1B -124(4) . .
O5 La1 O1 S1B -33(4) . .
O8 La1 O1 S1B 121(4) . .
O7 La1 O2 S2A 139(3) . .
O3 La1 O2 S2A -99(3) . .
O1 La1 O2 S2A -76(4) . .
O6 La1 O2 S2A 90(3) . .
O4 La1 O2 S2A -26(3) . .
O5 La1 O2 S2A -176(3) . .
O8 La1 O2 S2A 28(4) . .
O7 La1 O2 S2B -88(4) . .
O3 La1 O2 S2B 34(4) . .
O1 La1 O2 S2B 57(6) . .
O6 La1 O2 S2B -137(5) . .
O4 La1 O2 S2B 107(4) . .
O5 La1 O2 S2B -43(4) . .
O8 La1 O2 S2B 161(4) . .
O7 La1 O3 S3B 17(5) . .
O1 La1 O3 S3B 71(5) . .
O6 La1 O3 S3B -101(5) . .
O4 La1 O3 S3B 167(5) . .
O2 La1 O3 S3B -120(5) . .
O5 La1 O3 S3B -45(5) . .
O8 La1 O3 S3B 121(4) . .
O7 La1 O3 S3A 151(4) . .
O1 La1 O3 S3A -155(5) . .
O6 La1 O3 S3A 34(6) . .
O4 La1 O3 S3A -58(4) . .
O2 La1 O3 S3A 14(4) . .
O5 La1 O3 S3A 89(4) . .
O8 La1 O3 S3A -105(4) . .
O7 La1 O4 S4B 0(6) . .
O3 La1 O4 S4B -113(4) . .
O1 La1 O4 S4B -44(4) . .
O6 La1 O4 S4B 96(4) . .
O2 La1 O4 S4B 157(4) . .
O5 La1 O4 S4B -161(3) . .
O8 La1 O4 S4B 28(4) . .
O7 La1 O4 S4A 98(4) . .
O3 La1 O4 S4A -15(3) . .
O1 La1 O4 S4A 54(3) . .
O6 La1 O4 S4A -167(3) . .
O2 La1 O4 S4A -106(3) . .
O5 La1 O4 S4A -63(4) . .
O8 La1 O4 S4A 125(3) . .
O7 La1 O5 S5A -131(5) . .
O3 La1 O5 S5A -8(5) . .
O1 La1 O5 S5A -70(5) . .
O6 La1 O5 S5A 150(5) . .
O4 La1 O5 S5A 39(6) . .
O2 La1 O5 S5A 81(5) . .
O8 La1 O5 S5A -160(4) . .
O7 La1 O5 S5B 104(2) . .
O3 La1 O5 S5B -133(3) . .
O1 La1 O5 S5B 165(2) . .
O6 La1 O5 S5B 25(2) . .
O4 La1 O5 S5B -86(3) . .
O2 La1 O5 S5B -44(2) . .
O8 La1 O5 S5B 75(3) . .
O7 La1 O6 S6A 10(3) . .
O3 La1 O6 S6A 136(3) . .
O1 La1 O6 S6A -33(4) . .
O4 La1 O6 S6A -140(3) . .
O2 La1 O6 S6A 157(3) . .
O5 La1 O6 S6A 83(3) . .
O8 La1 O6 S6A -77(3) . .
O7 La1 O6 S6B -103(4) . .
O3 La1 O6 S6B 22(5) . .
O1 La1 O6 S6B -147(4) . .
O4 La1 O6 S6B 106(4) . .
O2 La1 O6 S6B 43(4) . .
O5 La1 O6 S6B -31(4) . .
O8 La1 O6 S6B 169(4) . .
O3 La1 O7 S7B -85(4) . .
O1 La1 O7 S7B -139(4) . .
O6 La1 O7 S7B 70(4) . .
O4 La1 O7 S7B 173(3) . .
O2 La1 O7 S7B 25(5) . .
O5 La1 O7 S7B -21(4) . .
O8 La1 O7 S7B 147(4) . .
O3 La1 O7 S7A 83(6) . .
O1 La1 O7 S7A 29(6) . .
O6 La1 O7 S7A -122(6) . .
O4 La1 O7 S7A -19(7) . .
O2 La1 O7 S7A -167(5) . .
O5 La1 O7 S7A 147(6) . .
O8 La1 O7 S7A -45(6) . .
O7 La1 O8 S8A 19(2) . .
O3 La1 O8 S8A -100(3) . .
O1 La1 O8 S8A -52(2) . .
O6 La1 O8 S8A 98(2) . .
O4 La1 O8 S8A -148(3) . .
O2 La1 O8 S8A 156(2) . .
O5 La1 O8 S8A 46(3) . .
O7 La1 O8 S8B -97(2) . .
O3 La1 O8 S8B 144(2) . .
O1 La1 O8 S8B -168(2) . .
O6 La1 O8 S8B -18(2) . .
O4 La1 O8 S8B 96(2) . .
O2 La1 O8 S8B 40(2) . .
O5 La1 O8 S8B -70(3) . .
O15 La2 O9 S9 -40.0(18) . .
O13 La2 O9 S9 106.3(18) . .
O10 La2 O9 S9 8(3) . .
O12 La2 O9 S9 40.1(17) . .
O11 La2 O9 S9 169(2) . .
O16 La2 O9 S9 -116.4(19) . .
O14 La2 O9 S9 -148.0(15) . .
O15 La2 O10 S10 -82(4) . .
O13 La2 O10 S10 118(4) . .
O12 La2 O10 S10 -163(4) . .
O11 La2 O10 S10 80(5) . .
O9 La2 O10 S10 -131(4) . .
O16 La2 O10 S10 -21(4) . .
O14 La2 O10 S10 36(4) . .
O15 La2 O11 S11B -132(6) . .
O13 La2 O11 S11B 36(6) . .
O10 La2 O11 S11B 76(6) . .
O12 La2 O11 S11B -25(6) . .
O9 La2 O11 S11B -84(6) . .
O16 La2 O11 S11B -166(6) . .
O14 La2 O11 S11B 118(6) . .
O15 La2 O11 S11A -42(3) . .
O13 La2 O11 S11A 125(3) . .
O10 La2 O11 S11A 165.1(19) . .
O12 La2 O11 S11A 65(3) . .
O9 La2 O11 S11A 6(2) . .
O16 La2 O11 S11A -77(2) . .
O14 La2 O11 S11A -152(2) . .
O15 La2 O12 S12A 49(8) . .
O13 La2 O12 S12A -151(8) . .
O10 La2 O12 S12A 127(8) . .
O11 La2 O12 S12A -93(8) . .
O9 La2 O12 S12A -32(8) . .
O16 La2 O12 S12A 8(8) . .
O14 La2 O12 S12A 154(8) . .
O15 La2 O12 S12B -64(2) . .
O13 La2 O12 S12B 96(2) . .
O10 La2 O12 S12B 14(2) . .
O11 La2 O12 S12B 154(2) . .
O9 La2 O12 S12B -145(2) . .
O16 La2 O12 S12B -105(2) . .
O14 La2 O12 S12B 41(3) . .
O15 La2 O13 S13B 24(5) . .
O10 La2 O13 S13B 62(4) . .
O12 La2 O13 S13B -13(4) . .
O11 La2 O13 S13B -142(4) . .
O9 La2 O13 S13B -77(4) . .
O16 La2 O13 S13B -174(3) . .
O14 La2 O13 S13B 135(4) . .
O15 La2 O13 S13A -93(6) . .
O10 La2 O13 S13A -55(6) . .
O12 La2 O13 S13A -130(6) . .
O11 La2 O13 S13A 101(6) . .
O9 La2 O13 S13A 166(6) . .
O16 La2 O13 S13A 68(6) . .
O14 La2 O13 S13A 17(6) . .
O15 La2 O14 S14B -149.3(18) . .
O13 La2 O14 S14B 64(2) . .
O10 La2 O14 S14B 145(2) . .
O12 La2 O14 S14B 117.5(17) . .
O11 La2 O14 S14B -8.4(18) . .
O9 La2 O14 S14B -51(3) . .
O16 La2 O14 S14B -83.0(19) . .
O15 La2 O14 S14A -78(3) . .
O13 La2 O14 S14A 135(3) . .
O10 La2 O14 S14A -144(3) . .
O12 La2 O14 S14A -172(3) . .
O11 La2 O14 S14A 62(3) . .
O9 La2 O14 S14A 20(4) . .
O16 La2 O14 S14A -12(3) . .
O13 La2 O15 S15A 169(3) . .
O10 La2 O15 S15A 130(3) . .
O12 La2 O15 S15A -155(3) . .
O11 La2 O15 S15A -33(4) . .
O9 La2 O15 S15A -80(3) . .
O16 La2 O15 S15A 1(3) . .
O14 La2 O15 S15A 67(3) . .
O13 La2 O15 S15B 42(4) . .
O10 La2 O15 S15B 4(3) . .
O12 La2 O15 S15B 79(3) . .
O11 La2 O15 S15B -159(3) . .
O9 La2 O15 S15B 154(3) . .
O16 La2 O15 S15B -125(3) . .
O14 La2 O15 S15B -59(3) . .
O15 La2 O16 S16A 162(17) . .
O13 La2 O16 S16A -8(17) . .
O10 La2 O16 S16A 100(17) . .
O12 La2 O16 S16A -157(16) . .
O11 La2 O16 S16A -40(17) . .
O9 La2 O16 S16A -118(17) . .
O14 La2 O16 S16A 45(17) . .
O15 La2 O16 S16B -64(3) . .
O13 La2 O16 S16B 127(3) . .
O10 La2 O16 S16B -125(3) . .
O12 La2 O16 S16B -23(3) . .
O11 La2 O16 S16B 95(3) . .
O9 La2 O16 S16B 17(3) . .
O14 La2 O16 S16B 180(3) . .
La1 O1 S1A S1B 175(8) . .
S1B O1 S1A C1 59.5(16) . .
La1 O1 S1A C1 -126(7) . .
S1B O1 S1A C2 -62.2(14) . .
La1 O1 S1A C2 112(7) . .
C1 S1A S1B O1 -120.1(17) . .
C2 S1A S1B O1 116.8(15) . .
O1 S1A S1B C1 120.1(17) . .
C2 S1A S1B C1 -123(2) . .
O1 S1A S1B C2 -116.8(15) . .
C1 S1A S1B C2 123(2) . .
La1 O1 S1B S1A -177(4) . .
S1A O1 S1B C1 -58.8(17) . .
La1 O1 S1B C1 124(4) . .
S1A O1 S1B C2 59.9(16) . .
La1 O1 S1B C2 -117(4) . .
La1 O2 S2A S2B 157(3) . .
S2B O2 S2A C3 -58.5(17) . .
La1 O2 S2A C3 98(3) . .
S2B O2 S2A C4 59.4(17) . .
La1 O2 S2A C4 -144(4) . .
C3 S2A S2B O2 119.4(18) . .
C4 S2A S2B O2 -118.1(19) . .
O2 S2A S2B C3 -119.4(18) . .
C4 S2A S2B C3 122(3) . .
O2 S2A S2B C4 118.1(19) . .
C3 S2A S2B C4 -122(3) . .
La1 O2 S2B S2A -151(4) . .
S2A O2 S2B C3 58.6(18) . .
La1 O2 S2B C3 -92(5) . .
S2A O2 S2B C4 -59(2) . .
La1 O2 S2B C4 150(4) . .
La1 O3 S3A S3B -157(4) . .
S3B O3 S3A C6 51.5(19) . .
La1 O3 S3A C6 -105(4) . .
S3B O3 S3A C5 -55.6(16) . .
La1 O3 S3A C5 148(3) . .
C6 S3A S3B O3 -127(3) . .
C5 S3A S3B O3 121(2) . .
O3 S3A S3B C6 127(3) . .
C5 S3A S3B C6 -112(2) . .
O3 S3A S3B C5 -121(2) . .
C6 S3A S3B C5 112(2) . .
La1 O3 S3B S3A 151(5) . .
S3A O3 S3B C6 -50.7(19) . .
La1 O3 S3B C6 101(5) . .
S3A O3 S3B C5 54.8(18) . .
La1 O3 S3B C5 -154(4) . .
La1 O4 S4A S4B -140(3) . .
S4B O4 S4A C7 56.1(18) . .
La1 O4 S4A C7 -84(3) . .
S4B O4 S4A C8 -57.5(18) . .
La1 O4 S4A C8 163(3) . .
C7 S4A S4B O4 -122(2) . .
C8 S4A S4B O4 119(2) . .
O4 S4A S4B C7 122(2) . .
C8 S4A S4B C7 -118(3) . .
O4 S4A S4B C8 -119(2) . .
C7 S4A S4B C8 118(3) . .
La1 O4 S4B S4A 128(4) . .
S4A O4 S4B C7 -57(2) . .
La1 O4 S4B C7 71(4) . .
S4A O4 S4B C8 58.9(18) . .
La1 O4 S4B C8 -173(4) . .
La1 O5 S5A S5B -141(5) . .
S5B O5 S5A C9 57.6(15) . .
La1 O5 S5A C9 -83(5) . .
S5B O5 S5A C10 -57.0(15) . .
La1 O5 S5A C10 162(4) . .
C9 S5A S5B O5 -124.0(15) . .
C10 S5A S5B O5 124.4(14) . .
O5 S5A S5B C10 -124.4(14) . .
C9 S5A S5B C10 111.6(18) . .
O5 S5A S5B C9 124.0(15) . .
C10 S5A S5B C9 -111.6(18) . .
La1 O5 S5B S5A 159(3) . .
S5A O5 S5B C10 55.6(14) . .
La1 O5 S5B C10 -145(2) . .
S5A O5 S5B C9 -55.6(14) . .
La1 O5 S5B C9 103(3) . .
La1 O6 S6A S6B -152(3) . .
S6B O6 S6A C11 53.9(14) . .
La1 O6 S6A C11 -99(3) . .
S6B O6 S6A C12 -50.4(15) . .
La1 O6 S6A C12 157(2) . .
C11 S6A S6B O6 -125.3(19) . .
C12 S6A S6B O6 129.0(18) . .
O6 S6A S6B C12 -129.0(18) . .
C11 S6A S6B C12 105.7(17) . .
O6 S6A S6B C11 125.3(19) . .
C12 S6A S6B C11 -105.7(17) . .
La1 O6 S6B S6A 133(4) . .
S6A O6 S6B C12 51.6(15) . .
La1 O6 S6B C12 -175(3) . .
S6A O6 S6B C11 -52.8(15) . .
La1 O6 S6B C11 81(4) . .
La1 O7 S7A S7B -172(6) . .
S7B O7 S7A C14 -51.1(19) . .
La1 O7 S7A C14 137(6) . .
S7B O7 S7A C13 52.5(16) . .
La1 O7 S7A C13 -119(6) . .
C14 S7A S7B O7 134(2) . .
C13 S7A S7B O7 -128.9(19) . .
O7 S7A S7B C13 128.9(19) . .
C14 S7A S7B C13 -97(2) . .
O7 S7A S7B C14 -134(2) . .
C13 S7A S7B C14 97(2) . .
La1 O7 S7B S7A 175(4) . .
S7A O7 S7B C13 -54.9(17) . .
La1 O7 S7B C13 120(4) . .
S7A O7 S7B C14 49.0(19) . .
La1 O7 S7B C14 -136(3) . .
La1 O8 S8A S8B -144(2) . .
S8B O8 S8A C15 46.4(14) . .
La1 O8 S8A C15 -98(2) . .
S8B O8 S8A C16 -57.0(15) . .
La1 O8 S8A C16 159(2) . .
La1 O8 S8B S8A 140(3) . .
S8A O8 S8B C15 -45.2(14) . .
La1 O8 S8B C15 95(2) . .
S8A O8 S8B C16 56.8(14) . .
La1 O8 S8B C16 -163(2) . .
C15 S8A S8B O8 -129.8(18) . .
C16 S8A S8B O8 112(2) . .
O8 S8A S8B C15 129.8(18) . .
C16 S8A S8B C15 -119(2) . .
O8 S8A S8B C16 -112(2) . .
C15 S8A S8B C16 119(2) . .
La2 O9 S9 C17 123(2) . .
La2 O9 S9 C18 -140(2) . .
La2 O10 S10 C20 -88(4) . .
La2 O10 S10 C19 164(4) . .
La2 O11 S11A S11B -160(3) . .
S11B O11 S11A C22 56.9(18) . .
La2 O11 S11A C22 -103(2) . .
S11B O11 S11A C21 -51.2(17) . .
La2 O11 S11A C21 149(2) . .
C22 S11A S11B O11 -126(2) . .
C21 S11A S11B O11 130(2) . .
O11 S11A S11B C21 -130(2) . .
C22 S11A S11B C21 103(2) . .
O11 S11A S11B C22 126(2) . .
C21 S11A S11B C22 -103(2) . .
La2 O11 S11B S11A 103(6) . .
S11A O11 S11B C21 52.6(18) . .
La2 O11 S11B C21 156(5) . .
S11A O11 S11B C22 -51.7(17) . .
La2 O11 S11B C22 52(6) . .
La2 O12 S12A S12B -125(8) . .
S12B O12 S12A C23 -52(2) . .
La2 O12 S12A C23 -177(7) . .
S12B O12 S12A C24 60.2(19) . .
La2 O12 S12A C24 -65(8) . .
C23 S12A S12B O12 132(2) . .
C24 S12A S12B O12 -118(2) . .
O12 S12A S12B C23 -132(2) . .
C24 S12A S12B C23 110(2) . .
O12 S12A S12B C24 118(2) . .
C23 S12A S12B C24 -110(2) . .
La2 O12 S12B S12A 164(3) . .
S12A O12 S12B C23 52(2) . .
La2 O12 S12B C23 -144(3) . .
S12A O12 S12B C24 -60.2(18) . .
La2 O12 S12B C24 104(2) . .
La2 O13 S13A S13B 135(6) . .
S13B O13 S13A C25 -54.1(19) . .
La2 O13 S13A C25 81(6) . .
S13B O13 S13A C26 56.3(18) . .
La2 O13 S13A C26 -168(5) . .
C25 S13A S13B O13 128(3) . .
C26 S13A S13B O13 -122(2) . .
O13 S13A S13B C26 122(2) . .
C25 S13A S13B C26 -110(2) . .
O13 S13A S13B C25 -128(3) . .
C26 S13A S13B C25 110(2) . .
La2 O13 S13B S13A -156(4) . .
S13A O13 S13B C26 -57.7(18) . .
La2 O13 S13B C26 146(3) . .
S13A O13 S13B C25 53(2) . .
La2 O13 S13B C25 -103(4) . .
La2 O14 S14A S14B -99(3) . .
S14B O14 S14A C28 57.3(15) . .
La2 O14 S14A C28 -42(4) . .
S14B O14 S14A C27 -58.7(14) . .
La2 O14 S14A C27 -158(3) . .
C28 S14A S14B O14 -122.5(18) . .
C27 S14A S14B O14 119.5(16) . .
O14 S14A S14B C28 122.5(18) . .
C27 S14A S14B C28 -118.0(19) . .
O14 S14A S14B C27 -119.5(16) . .
C28 S14A S14B C27 118.0(19) . .
La2 O14 S14B S14A 139.7(19) . .
S14A O14 S14B C28 -58.8(16) . .
La2 O14 S14B C28 81(2) . .
S14A O14 S14B C27 60.8(15) . .
La2 O14 S14B C27 -159.6(18) . .
La2 O15 S15A S15B -150(3) . .
S15B O15 S15A C30 58.2(16) . .
La2 O15 S15A C30 -92(3) . .
S15B O15 S15A C29 -49.7(18) . .
La2 O15 S15A C29 160(3) . .
C30 S15A S15B O15 -118(2) . .
C29 S15A S15B O15 130(2) . .
O15 S15A S15B C29 -130(2) . .
C30 S15A S15B C29 113(3) . .
O15 S15A S15B C30 118(2) . .
C29 S15A S15B C30 -113(3) . .
La2 O15 S15B S15A 149(3) . .
S15A O15 S15B C29 49.8(17) . .
La2 O15 S15B C29 -161(3) . .
S15A O15 S15B C30 -56.3(15) . .
La2 O15 S15B C30 93(3) . .
La2 O16 S16A S16B 140(16) . .
S16B O16 S16A C31 60(2) . .
La2 O16 S16A C31 -160(15) . .
S16B O16 S16A C32 -57(2) . .
La2 O16 S16A C32 83(16) . .
C31 S16A S16B O16 -124(3) . .
C32 S16A S16B O16 125(3) . .
O16 S16A S16B C32 -125(3) . .
C31 S16A S16B C32 111(3) . .
O16 S16A S16B C31 124(3) . .
C32 S16A S16B C31 -111(3) . .
La2 O16 S16B S16A -173(3) . .
S16A O16 S16B C32 56(2) . .
La2 O16 S16B C32 -117(3) . .
S16A O16 S16B C31 -55(2) . .
La2 O16 S16B C31 132(3) . .
O1 S1A C1 S1B -57.5(15) . .
C2 S1A C1 S1B 60.0(17) . .
O1 S1B C1 S1A 56.4(16) . .
C2 S1B C1 S1A -57.7(16) . .
O1 S1A C2 S1B 59.3(14) . .
C1 S1A C2 S1B -59.4(17) . .
O1 S1B C2 S1A -57.9(15) . .
C1 S1B C2 S1A 58.1(16) . .
O2 S2B C3 S2A -55.1(17) . .
C4 S2B C3 S2A 58.6(17) . .
O2 S2A C3 S2B 57.0(18) . .
C4 S2A C3 S2B -57.8(18) . .
O2 S2B C4 S2A 55.8(18) . .
C3 S2B C4 S2A -58.6(17) . .
O2 S2A C4 S2B -57.7(18) . .
C3 S2A C4 S2B 57.7(18) . .
O3 S3A C5 S3B 52.3(16) . .
C6 S3A C5 S3B -61.0(15) . .
O3 S3B C5 S3A -52.4(18) . .
C6 S3B C5 S3A 59.8(15) . .
O3 S3A C6 S3B -48.8(18) . .
C5 S3A C6 S3B 61.2(14) . .
O3 S3B C6 S3A 48.8(18) . .
C5 S3B C6 S3A -60.1(15) . .
O4 S4B C7 S4A 54.6(17) . .
C8 S4B C7 S4A -60.5(16) . .
O4 S4A C7 S4B -53.7(18) . .
C8 S4A C7 S4B 59.1(19) . .
O4 S4B C8 S4A -56.2(17) . .
C7 S4B C8 S4A 60.1(16) . .
O4 S4A C8 S4B 55.1(18) . .
C7 S4A C8 S4B -59.4(19) . .
O5 S5A C9 S5B -55.3(15) . .
C10 S5A C9 S5B 64.5(13) . .
O5 S5B C9 S5A 52.7(13) . .
C10 S5B C9 S5A -63.5(13) . .
O5 S5A C10 S5B 55.0(15) . .
C9 S5A C10 S5B -64.8(13) . .
O5 S5B C10 S5A -52.5(13) . .
C9 S5B C10 S5A 63.3(13) . .
O6 S6A C11 S6B -51.6(13) . .
C12 S6A C11 S6B 63.3(11) . .
O6 S6B C11 S6A 50.1(14) . .
C12 S6B C11 S6A -65.1(11) . .
O6 S6B C12 S6A -48.3(14) . .
C11 S6B C12 S6A 63.9(11) . .
O6 S6A C12 S6B 49.0(14) . .
C11 S6A C12 S6B -64.4(12) . .
O7 S7B C13 S7A 53.1(15) . .
C14 S7B C13 S7A -67.8(12) . .
O7 S7A C13 S7B -50.0(15) . .
C14 S7A C13 S7B 71.5(13) . .
O7 S7A C14 S7B 47.7(17) . .
C13 S7A C14 S7B -68.8(13) . .
O7 S7B C14 S7A -48.5(19) . .
C13 S7B C14 S7A 70.4(13) . .
O8 S8A C15 S8B -43.9(14) . .
C16 S8A C15 S8B 53.9(15) . .
O8 S8B C15 S8A 43.4(14) . .
C16 S8B C15 S8A -53.4(16) . .
O8 S8A C16 S8B 53.6(14) . .
C15 S8A C16 S8B -54.2(15) . .
O8 S8B C16 S8A -53.5(13) . .
C15 S8B C16 S8A 52.8(15) . .
O11 S11B C21 S11A -50.4(17) . .
C22 S11B C21 S11A 63.4(13) . .
O11 S11A C21 S11B 49.4(17) . .
C22 S11A C21 S11B -69.2(15) . .
O11 S11A C22 S11B -52.9(16) . .
C21 S11A C22 S11B 66.0(14) . .
O11 S11B C22 S11A 51.5(17) . .
C21 S11B C22 S11A -66.8(14) . .
O12 S12A C23 S12B 50(2) . .
C24 S12A C23 S12B -65.0(16) . .
O12 S12B C23 S12A -50.0(19) . .
C24 S12B C23 S12A 65.0(16) . .
O12 S12B C24 S12A 57.8(16) . .
C23 S12B C24 S12A -64.9(16) . .
O12 S12A C24 S12B -57.9(18) . .
C23 S12A C24 S12B 65.0(17) . .
O13 S13A C25 S13B 51.6(18) . .
C26 S13A C25 S13B -63.1(16) . .
O13 S13B C25 S13A -51.5(18) . .
C26 S13B C25 S13A 64.2(15) . .
O13 S13B C26 S13A 55.2(17) . .
C25 S13B C26 S13A -63.1(15) . .
O13 S13A C26 S13B -54.3(17) . .
C25 S13A C26 S13B 64.2(17) . .
O14 S14B C27 S14A -58.3(14) . .
C28 S14B C27 S14A 62.3(15) . .
O14 S14A C27 S14B 57.1(13) . .
C28 S14A C27 S14B -60.5(16) . .
O14 S14B C28 S14A 56.7(15) . .
C27 S14B C28 S14A -62.6(15) . .
O14 S14A C28 S14B -55.6(14) . .
C27 S14A C28 S14B 60.3(15) . .
O15 S15B C29 S15A -47.0(16) . .
C30 S15B C29 S15A 59.8(15) . .
O15 S15A C29 S15B 47.5(17) . .
C30 S15A C29 S15B -61.6(16) . .
O15 S15A C30 S15B -54.4(14) . .
C29 S15A C30 S15B 60.6(14) . .
O15 S15B C30 S15A 53.5(14) . .
C29 S15B C30 S15A -60.7(16) . .
O16 S16A C31 S16B -58(2) . .
C32 S16A C31 S16B 64.6(19) . .
O16 S16B C31 S16A 53(2) . .
C32 S16B C31 S16A -64.8(19) . .
O16 S16B C32 S16A -53(2) . .
C31 S16B C32 S16A 63.1(19) . .
O16 S16A C32 S16B 56(2) . .
C31 S16A C32 S16B -66.2(19) . .
