#------------------------------------------------------------------------------
#$Date: 2018-05-31 03:00:27 +0300 (Thu, 31 May 2018) $
#$Revision: 208055 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/64/7046499.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_7046499
loop_
_publ_author_name
'Jamie W. Purcell'
'De-Liang Long'
'Edward C. Lee'
'Leroy Cronin'
'Haralampos N. Miras'
_publ_section_title
;
 Spontaneous formation of a chiral (Mo2O2S2)2+-based cluster driven by
 dimeric {Te2O6}-based templates
;
_journal_name_full               'Dalton Transactions'
_journal_page_first              6283
_journal_page_last               6287
_journal_paper_doi               10.1039/C8DT00832A
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'H108 K8 Mo20 O98 S20 Te5'
_chemical_formula_weight         5187.66
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                107.582(4)
_cell_angle_beta                 95.258(4)
_cell_angle_gamma                108.882(3)
_cell_formula_units_Z            2
_cell_length_a                   15.2433(10)
_cell_length_b                   18.1235(12)
_cell_length_c                   25.9548(18)
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      2.25
_cell_volume                     6323.3(8)
_computing_cell_refinement       Apex2
_computing_data_collection       Apex2
_computing_data_reduction        Apex2
_computing_molecular_graphics    Diamond3
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Apex II Quasar'
_diffrn_measurement_method       'ω & φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0941
_diffrn_reflns_av_unetI/netI     0.0956
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            91451
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.675
_diffrn_source                   '1uS Microfocus x-ray'
_exptl_absorpt_coefficient_mu    3.735
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.725
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             4928
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_refine_diff_density_max         2.46
_refine_diff_density_min         -2.48
_refine_diff_density_rms         0.34
_refine_ls_extinction_coef       0.00019(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1366
_refine_ls_number_reflns         24762
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0785
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0654P)²+48.9811P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1345
_refine_ls_wR_factor_ref         0.1492
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18994
_reflns_number_total             24762
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            Compound_2.cif
_cod_data_source_block           jwp3422
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'direct methods' was changed to
'direct'.

Automatic conversion script
Id: cif_fix_values 5642 2017-10-24 12:04:52Z antanas 
;
_cod_database_code               7046499
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.706
_shelx_estimated_absorpt_t_max   0.780
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.58223(5) 1.07099(5) 0.35361(3) 0.01014(17) Uani 1 1 d . . . . .
Mo2 Mo 0.62119(5) 1.24157(5) 0.36908(3) 0.01094(17) Uani 1 1 d . . . . .
Mo3 Mo 0.79165(5) 1.39680(5) 0.36435(3) 0.01252(18) Uani 1 1 d . . . . .
Mo4 Mo 0.97018(5) 1.40973(5) 0.33512(4) 0.01373(18) Uani 1 1 d . . . . .
Mo5 Mo 1.06866(5) 1.27528(5) 0.29918(3) 0.01208(18) Uani 1 1 d . . . . .
Mo6 Mo 1.07946(5) 1.11774(5) 0.28433(3) 0.01085(18) Uani 1 1 d . . . . .
Mo7 Mo 0.99579(5) 0.94575(5) 0.30780(3) 0.01094(18) Uani 1 1 d . . . . .
Mo8 Mo 0.91102(5) 0.77162(5) 0.25199(3) 0.01160(18) Uani 1 1 d . . . . .
Mo9 Mo 0.85103(5) 0.62210(5) 0.12356(4) 0.0176(2) Uani 1 1 d . . . . .
Mo10 Mo 0.81016(6) 0.64752(6) 0.02403(4) 0.0202(2) Uani 1 1 d . . . . .
Mo11 Mo 0.71520(6) 0.73723(6) -0.04010(4) 0.0216(2) Uani 1 1 d . . . . .
Mo12 Mo 0.61236(6) 0.84310(6) -0.01102(4) 0.0226(2) Uani 1 1 d . . . . .
Mo13 Mo 0.53768(6) 0.90786(5) 0.09862(4) 0.0187(2) Uani 1 1 d . . . . .
Mo14 Mo 0.51379(5) 0.90386(5) 0.20424(3) 0.01293(18) Uani 1 1 d . . . . .
Mo15 Mo 0.49464(5) 0.73088(5) 0.24244(3) 0.01146(18) Uani 1 1 d . . . . .
Mo16 Mo 0.49310(5) 0.61900(5) 0.29968(3) 0.01145(18) Uani 1 1 d . . . . .
Mo17 Mo 0.55146(5) 0.63427(5) 0.42592(3) 0.01045(17) Uani 1 1 d . . . . .
Mo18 Mo 0.64345(5) 0.76909(5) 0.52718(3) 0.01023(17) Uani 1 1 d . . . . .
Mo19 Mo 0.73666(5) 0.96077(5) 0.54378(3) 0.00992(17) Uani 1 1 d . . . . .
Mo20 Mo 0.76267(5) 1.03323(5) 0.45957(3) 0.00910(17) Uani 1 1 d . . . . .
Te1 Te 0.80997(4) 1.19447(3) 0.30021(3) 0.01036(14) Uani 1 1 d . . . . .
Te2 Te 0.93053(4) 1.11932(3) 0.38956(2) 0.00941(13) Uani 1 1 d . . . . .
Te3 Te 0.62863(4) 0.73240(4) 0.08367(3) 0.01590(15) Uani 1 1 d . . . . .
Te4 Te 0.66692(4) 0.92584(3) 0.32460(2) 0.00938(13) Uani 1 1 d . . . . .
Te5 Te 0.58006(4) 0.83349(3) 0.41129(2) 0.00884(13) Uani 1 1 d . . . . .
S1 S 0.65226(15) 1.18530(14) 0.43466(10) 0.0142(5) Uani 1 1 d . . . . .
S2 S 0.58090(15) 1.13009(14) 0.28651(10) 0.0133(5) Uani 1 1 d . . . . .
S3 S 0.93576(15) 1.43069(14) 0.42290(10) 0.0157(5) Uani 1 1 d . . . . .
S4 S 0.82407(16) 1.36266(15) 0.27611(11) 0.0170(5) Uani 1 1 d . . . . .
S5 S 1.13106(15) 1.23405(14) 0.36626(10) 0.0137(5) Uani 1 1 d . . . . .
S6 S 0.97213(15) 1.14760(14) 0.23166(10) 0.0147(5) Uani 1 1 d . . . . .
S7 S 1.06895(15) 0.85429(15) 0.26842(11) 0.0169(5) Uani 1 1 d . . . . .
S8 S 0.83909(14) 0.86884(14) 0.26632(10) 0.0145(5) Uani 1 1 d . . . . .
S9 S 0.93480(17) 0.73310(17) 0.09879(12) 0.0253(6) Uani 1 1 d . . . . .
S10 S 0.70622(17) 0.56485(16) 0.06241(11) 0.0229(6) Uani 1 1 d . . . . .
S11 S 0.77602(19) 0.88123(17) 0.00136(12) 0.0276(6) Uani 1 1 d . . . . .
S12 S 0.55230(17) 0.69722(17) -0.04251(11) 0.0245(6) Uani 1 1 d . . . . .
S13 S 0.64540(16) 0.98697(15) 0.18247(10) 0.0183(5) Uani 1 1 d . . . . .
S14 S 0.43808(17) 0.79961(15) 0.11974(11) 0.0206(6) Uani 1 1 d . . . . .
S15 S 0.38316(15) 0.67963(14) 0.29018(11) 0.0157(5) Uani 1 1 d . . . . .
S16 S 0.61895(15) 0.68911(14) 0.26512(10) 0.0139(5) Uani 1 1 d . . . . .
S17 S 0.48433(14) 0.71914(14) 0.48200(10) 0.0128(5) Uani 1 1 d . . . . .
S18 S 0.71266(14) 0.69269(14) 0.46631(10) 0.0132(5) Uani 1 1 d . . . . .
S19 S 0.63030(14) 1.00481(14) 0.50021(10) 0.0119(5) Uani 1 1 d . . . . .
S20 S 0.86533(14) 0.98926(14) 0.50137(10) 0.0127(5) Uani 1 1 d . . . . .
K1 K 1.34922(16) 1.27389(15) 0.31745(10) 0.0289(6) Uani 1 1 d . . . . .
K2 K 0.44287(14) 0.58329(13) 0.54675(9) 0.0189(5) Uani 1 1 d . . . . .
K3 K 0.80217(14) 0.79763(14) 0.38584(10) 0.0210(5) Uani 1 1 d . . . . .
K4 K 1.08581(15) 0.81322(14) 0.38816(10) 0.0247(5) Uani 1 1 d . . . . .
K5 K 0.73086(18) 0.61115(16) -0.20671(12) 0.0356(6) Uani 1 1 d . . . . .
K6 K 1.2892(3) 0.9976(3) 0.3040(2) 0.0376(12) Uani 0.55 1 d . . P A 1
K6' K 1.2995(10) 0.9263(10) 0.2772(7) 0.029(4) Uiso 0.15 1 d . . P A 2
K7 K 0.2431(9) 0.7579(7) 0.1773(5) 0.056(3) Uiso 0.3 1 d . . P B 1
K8 K 1.1501(5) 1.4313(4) 0.4681(3) 0.0576(18) Uani 0.5 1 d . . P C 1
K9 K 0.2646(5) 0.6194(5) 0.3794(3) 0.0593(18) Uani 0.5 1 d . . P D 1
O1 O 0.4688(4) 1.0328(4) 0.3601(3) 0.0169(15) Uani 1 1 d . . . . .
O2 O 0.5150(4) 1.2497(4) 0.3760(3) 0.0168(15) Uani 1 1 d . . . . .
O3 O 0.7882(4) 1.4918(4) 0.3756(3) 0.0219(16) Uani 1 1 d . . . . .
O4 O 1.0179(4) 1.5092(4) 0.3373(3) 0.0225(16) Uani 1 1 d . . . . .
O5 O 1.1630(4) 1.3049(4) 0.2704(3) 0.0166(15) Uani 1 1 d . . . . .
O6 O 1.1724(4) 1.1359(4) 0.2529(3) 0.0159(15) Uani 1 1 d . . . . .
O7 O 1.0027(4) 0.9461(4) 0.3731(3) 0.0154(14) Uani 1 1 d . . . . .
O8 O 0.8965(4) 0.7407(4) 0.3068(3) 0.0156(14) Uani 1 1 d . . . . .
O9 O 0.9046(5) 0.5540(5) 0.1008(3) 0.0286(18) Uani 1 1 d . . . . .
O10 O 0.8554(5) 0.5820(5) -0.0141(3) 0.0303(18) Uani 1 1 d . . . . .
O11 O 0.7179(5) 0.7234(5) -0.1065(3) 0.0311(19) Uani 1 1 d . . . . .
O12 O 0.5880(5) 0.8625(5) -0.0690(3) 0.0335(19) Uani 1 1 d . . . . .
O13 O 0.4733(5) 0.9671(4) 0.0950(3) 0.0270(17) Uani 1 1 d . . . . .
O14 O 0.4402(4) 0.9567(4) 0.2139(3) 0.0191(15) Uani 1 1 d . . . . .
O15 O 0.4466(5) 0.6636(4) 0.1772(3) 0.0222(16) Uani 1 1 d . . . . .
O16 O 0.4441(4) 0.5250(4) 0.2486(3) 0.0194(15) Uani 1 1 d . . . . .
O17 O 0.5164(4) 0.5511(4) 0.4466(3) 0.0150(14) Uani 1 1 d . . . . .
O18 O 0.6346(4) 0.7206(4) 0.5735(3) 0.0135(14) Uani 1 1 d . . . . .
O19 O 0.7772(4) 1.0399(4) 0.6055(3) 0.0189(15) Uani 1 1 d . . . . .
O20 O 0.8134(4) 1.1372(4) 0.4911(3) 0.0168(15) Uani 1 1 d . . . . .
O21 O 0.6498(4) 1.3255(4) 0.3241(3) 0.0125(14) Uani 1 1 d . . . . .
O22 O 0.7109(4) 1.3628(4) 0.4220(3) 0.0138(14) Uani 1 1 d . . . . .
O23 O 1.0118(4) 1.3482(4) 0.2651(3) 0.0203(16) Uani 1 1 d . . . . .
O24 O 1.0939(4) 1.3912(4) 0.3607(3) 0.0156(15) Uani 1 1 d . . . . .
O25 O 1.0083(4) 0.9921(4) 0.2379(3) 0.0125(14) Uani 1 1 d . . . . .
O26 O 1.1291(4) 1.0486(4) 0.3254(3) 0.0155(15) Uani 1 1 d . . . . .
O27 O 0.9452(4) 0.6789(4) 0.2018(3) 0.0175(15) Uani 1 1 d . . . . .
O28 O 0.8039(4) 0.7046(4) 0.1849(3) 0.0179(15) Uani 1 1 d . . . . .
O29 O 0.8513(4) 0.7379(4) -0.0141(3) 0.0270(18) Uani 1 1 d . . . . .
O30 O 0.7003(4) 0.6144(4) -0.0459(3) 0.0217(16) Uani 1 1 d . . . . .
O31 O 0.6343(5) 0.9572(4) 0.0515(3) 0.0230(16) Uani 1 1 d . . . . .
O32 O 0.4824(5) 0.8358(4) 0.0125(3) 0.0217(16) Uani 1 1 d . . . . .
O33 O 0.5925(4) 0.8299(4) 0.2247(3) 0.0112(13) Uani 1 1 d . . . . .
O34 O 0.4277(4) 0.8140(4) 0.2367(3) 0.0133(14) Uani 1 1 d . . . . .
O35 O 0.5795(4) 0.5806(4) 0.3481(3) 0.0125(14) Uani 1 1 d . . . . .
O36 O 0.4285(4) 0.5904(4) 0.3638(3) 0.0146(14) Uani 1 1 d . . . . .
O37 O 0.7788(4) 0.8683(4) 0.5621(3) 0.0104(13) Uani 1 1 d . . . . .
O38 O 0.6309(4) 0.8818(4) 0.5744(3) 0.0152(14) Uani 1 1 d . . . . .
O39 O 0.7700(4) 1.2632(4) 0.3564(3) 0.0135(14) Uani 1 1 d . . . . .
O40 O 0.9375(4) 1.2702(4) 0.3297(3) 0.0117(13) Uani 1 1 d . . . . .
O41 O 0.8092(4) 1.1158(4) 0.3333(3) 0.0118(14) Uani 1 1 d . . . . .
O42 O 0.9630(4) 1.0590(4) 0.3267(3) 0.0136(14) Uani 1 1 d . . . . .
O43 O 0.8391(4) 1.0267(4) 0.3964(3) 0.0127(14) Uani 1 1 d . . . . .
O44 O 1.0289(4) 1.1100(4) 0.4422(3) 0.0122(14) Uani 1 1 d . . . . .
O45 O 0.7314(4) 0.7348(4) 0.0475(3) 0.0165(15) Uani 1 1 d . . . . .
O46 O 0.6242(4) 0.8307(4) 0.0740(3) 0.0164(14) Uani 1 1 d . . . . .
O47 O 0.6958(4) 0.7808(4) 0.1554(3) 0.0183(15) Uani 1 1 d . . . . .
O48 O 0.5872(4) 0.9723(4) 0.2904(3) 0.0130(14) Uani 1 1 d . . . . .
O49 O 0.6613(4) 1.0186(4) 0.3870(3) 0.0118(13) Uani 1 1 d . . . . .
O50 O 0.5552(4) 0.8376(4) 0.3248(3) 0.0122(14) Uani 1 1 d . . . . .
O51 O 0.5790(4) 0.7255(4) 0.3791(3) 0.0125(14) Uani 1 1 d . . . . .
O52 O 0.6643(4) 0.8455(4) 0.4763(3) 0.0106(13) Uani 1 1 d . . . . .
O53 O 0.6997(4) 0.9008(4) 0.3988(3) 0.0108(13) Uani 1 1 d . . . . .
O54 O 0.7737(5) 0.5390(4) 0.1671(3) 0.0245(17) Uani 1 1 d . . . . .
O55 O 1.5241(4) 1.4082(4) 0.3445(3) 0.0218(16) Uani 1 1 d . . . . .
O56 O 1.3226(5) 1.4293(4) 0.3558(3) 0.0309(19) Uani 1 1 d . . . . .
O57 O 0.8039(4) 1.4073(4) 0.5280(3) 0.0242(17) Uani 1 1 d . . . . .
O58 O 1.3588(7) 1.2787(8) 0.2167(5) 0.074(4) Uani 1 1 d . . . . .
O59 O 0.7646(4) 0.6258(4) 0.3487(3) 0.0190(15) Uani 1 1 d . . . . .
O60 O 0.9504(4) 0.7902(4) 0.4472(3) 0.0201(16) Uani 1 1 d . . . . .
O61 O 0.8584(5) 0.5561(4) 0.2687(3) 0.0276(18) Uani 1 1 d . . . . .
O62 O 1.0506(5) 0.6566(5) 0.3141(4) 0.035(2) Uani 1 1 d . . . . .
O63 O 0.8983(7) 0.6859(7) -0.1206(5) 0.075(4) Uani 1 1 d . . . . .
O64 O 0.8825(5) 1.2912(4) 0.4751(4) 0.0321(19) Uani 1 1 d . . . . .
O65 O 0.7119(5) 0.5071(5) -0.1461(3) 0.035(2) Uani 1 1 d . . . . .
O66 O 0.8178(5) 0.5137(5) -0.2728(4) 0.036(2) Uani 1 1 d . . . . .
O67 O 1.3287(4) 1.4391(4) 0.4637(3) 0.0263(18) Uani 1 1 d . . . . .
O68 O 0.7717(8) 0.3822(6) 0.1127(5) 0.066(3) Uani 1 1 d . . . . .
O69 O 0.7632(7) 0.8899(6) -0.1367(4) 0.057(3) Uani 1 1 d . . . . .
O70 O 1.0592(5) 1.3635(5) 0.5407(3) 0.0324(19) Uani 1 1 d . . . . .
O73 O 0.8502(5) 0.9267(5) 0.1510(3) 0.033(2) Uani 1 1 d . . . . .
O74 O 0.8161(6) 1.0493(5) 0.1083(4) 0.046(2) Uani 1 1 d . . . . .
O75 O 0.5344(5) 0.4979(5) -0.0495(4) 0.037(2) Uani 1 1 d . . . . .
O76 O 0.2656(5) 0.7850(5) 0.3996(4) 0.043(2) Uani 1 1 d . . . . .
O77 O 0.5754(6) 0.5210(5) 0.1564(4) 0.042(2) Uani 1 1 d . . . . .
O78 O 0.3514(6) 0.5970(5) 0.0584(4) 0.050(3) Uani 1 1 d . . . . .
O79 O 1.1161(6) 0.6699(6) 0.2209(4) 0.051(3) Uani 1 1 d . . . . .
O80 O 0.4893(7) 0.6341(6) -0.1767(4) 0.053(3) Uani 1 1 d . . . . .
O81 O 0.3686(6) 0.8919(5) -0.0424(4) 0.051(3) Uani 1 1 d . . . . .
O82 O 0.3304(6) 0.6886(5) -0.0085(4) 0.047(2) Uani 1 1 d . . . . .
O83 O 0.2943(8) 0.7576(7) -0.1412(5) 0.075(3) Uani 1 1 d . . . . .
O84 O 0.8891(7) 1.0419(7) -0.1531(5) 0.072(4) Uani 1 1 d . . . . .
O85 O 0.8712(7) 0.4825(7) -0.1750(6) 0.074(4) Uani 1 1 d . . . . .
O86 O 0.9945(11) 0.8902(10) 0.0474(8) 0.045(4) Uiso 0.55 1 d . . P E 1
O86' O 1.0255(18) 0.8845(16) 0.0204(13) 0.061(7) Uiso 0.4 1 d . . P F 2
O87 O 0.5875(10) 1.2705(10) 0.2167(7) 0.036(4) Uiso 0.7 1 d . . P G 1
O87' O 0.599(3) 1.257(3) 0.204(2) 0.049(14) Uiso 0.25 1 d . . P H 2
O88' O 0.356(2) 1.0195(19) 0.1343(14) 0.033(7) Uiso 0.25 1 d . . P I 2
O88" O 0.495(3) 1.119(2) 0.1601(17) 0.027(9) Uiso 0.2 1 d . . P J 3
O88 O 0.4525(8) 1.1107(7) 0.1673(5) 0.033(3) Uiso 0.7 1 d . . P K 1
O89 O 0.1823(10) 0.7076(10) 0.1962(7) 0.010(3) Uiso 0.4 1 d . . P L 2
O89' O 0.1888(16) 0.7288(15) 0.1755(10) 0.017(5) Uiso 0.3 1 d . . P M 3
O90' O 0.3035(12) 1.0392(12) 0.2028(8) 0.029(4) Uiso 0.4 1 d . . P N 2
O90 O 0.3475(11) 1.1106(10) 0.2509(7) 0.053(4) Uiso 0.6 1 d . . P O 1
O91" O 0.939(2) 0.346(2) 0.0920(15) 0.018(7) Uiso 0.2 1 d . . P P 1
O91 O 1.0316(7) 0.4816(7) 0.0758(5) 0.023(3) Uiso 0.6 1 d . . P Q 1
O91' O 0.957(2) 0.399(3) 0.1036(17) 0.019(8) Uiso 0.2 1 d . . P R 2
O92 O 0.8829(9) 1.2427(8) 0.1654(7) 0.042(3) Uiso 0.65 1 d . . P S 1
O92' O 0.8646(14) 1.2481(13) 0.1336(10) 0.029(5) Uiso 0.35 1 d . . P T 2
O93 O 0.9030(9) 0.8264(9) -0.1379(6) 0.026(3) Uiso 0.5 1 d . . P . .
O94 O 1.1816(13) 0.6063(12) 0.0845(9) 0.033(5) Uiso 0.4 1 d . . P . .
O95' O 0.2407(18) 0.9082(17) 0.1834(13) 0.039(7) Uiso 0.3 1 d . . P U 2
O95 O 0.2493(14) 0.8883(14) 0.1435(10) 0.043(5) Uiso 0.4 1 d . . P B 1
O96 O 0.2674(19) 0.8315(17) 0.0374(13) 0.041(7) Uiso 0.3 1 d . . P V 1
O96' O 0.124(3) 0.794(3) 0.009(2) 0.030(12) Uiso 0.15 1 d . . P W 2
O96" O 0.196(3) 0.749(3) 0.036(2) 0.024(11) Uiso 0.15 1 d . . P X 3
O97 O 1.3194(14) 1.0939(13) 0.3108(9) 0.028(5) Uiso 0.35 1 d . . P . .
O98 O 0.3337(9) 0.8662(8) 0.3218(7) 0.044(3) Uiso 0.7 1 d . . P Y 1
O98' O 0.3628(18) 0.8687(16) 0.3452(13) 0.028(6) Uiso 0.3 1 d . . P Z 2
O99 O 1.0263(16) 0.9514(15) -0.0506(11) 0.029(6) Uiso 0.3 1 d . . P A 2
O100 O 1.0850(14) 0.9272(13) -0.0303(10) 0.043(5) Uiso 0.4 1 d . . P A 2
O101 O 1.0451(18) 0.6077(18) 0.0256(13) 0.040(7) Uiso 0.3 1 d . . P B 1
O102 O 1.037(2) 0.536(2) 0.0229(17) 0.066(10) Uiso 0.3 1 d . . P C 2
O103 O 0.271(3) 0.954(3) 0.0488(19) 0.063(11) Uiso 0.25 1 d . . P . .
O104 O 1.192(3) 0.698(3) 0.0586(19) 0.061(11) Uiso 0.25 1 d . . P . .
O105 O 0.971(4) 0.416(4) 0.084(3) 0.062(16) Uiso 0.2 1 d . . P D 3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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'
K K 0.2009 0.2494 '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'
H H 0.0000 0.0000 '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
O1 Mo1 O49 110.3(3) . .
O1 Mo1 O48 101.1(3) . .
O49 Mo1 O48 72.5(2) . .
O1 Mo1 S2 106.4(3) . .
O49 Mo1 S2 139.25(18) . .
O48 Mo1 S2 83.94(19) . .
O1 Mo1 S1 102.9(2) . .
O49 Mo1 S1 85.07(18) . .
O48 Mo1 S1 151.62(18) . .
S2 Mo1 S1 103.40(9) . .
O1 Mo1 Mo2 105.2(2) . .
O49 Mo1 Mo2 129.42(17) . .
O48 Mo1 Mo2 133.66(19) . .
S2 Mo1 Mo2 52.34(6) . .
S1 Mo1 Mo2 52.16(6) . .
O1 Mo1 Te4 110.3(2) . .
O49 Mo1 Te4 36.31(18) . .
O48 Mo1 Te4 36.18(18) . .
S2 Mo1 Te4 113.31(6) . .
S1 Mo1 Te4 119.26(6) . .
Mo2 Mo1 Te4 144.45(3) . .
O2 Mo2 O22 99.0(3) . .
O2 Mo2 O21 92.0(3) . .
O22 Mo2 O21 69.5(2) . .
O2 Mo2 O39 164.7(3) . .
O22 Mo2 O39 71.1(2) . .
O21 Mo2 O39 73.8(2) . .
O2 Mo2 S1 103.9(2) . .
O22 Mo2 S1 91.4(2) . .
O21 Mo2 S1 157.03(17) . .
O39 Mo2 S1 88.24(18) . .
O2 Mo2 S2 102.0(2) . .
O22 Mo2 S2 150.76(19) . .
O21 Mo2 S2 89.56(18) . .
O39 Mo2 S2 83.82(17) . .
S1 Mo2 S2 102.93(9) . .
O2 Mo2 Mo1 102.2(2) . .
O22 Mo2 Mo1 141.28(18) . .
O21 Mo2 Mo1 140.66(17) . .
O39 Mo2 Mo1 92.49(16) . .
S1 Mo2 Mo1 52.20(6) . .
S2 Mo2 Mo1 51.82(6) . .
O2 Mo2 Mo3 119.6(2) . .
O22 Mo2 Mo3 41.31(18) . .
O21 Mo2 Mo3 40.56(15) . .
O39 Mo2 Mo3 45.41(16) . .
S1 Mo2 Mo3 116.48(6) . .
S2 Mo2 Mo3 109.75(7) . .
Mo1 Mo2 Mo3 137.81(3) . .
O2 Mo2 K2 48.3(2) . 2_676
O22 Mo2 K2 50.72(16) . 2_676
O21 Mo2 K2 76.95(17) . 2_676
O39 Mo2 K2 120.93(16) . 2_676
S1 Mo2 K2 101.24(7) . 2_676
S2 Mo2 K2 145.74(7) . 2_676
Mo1 Mo2 K2 138.47(5) . 2_676
Mo3 Mo2 K2 80.01(4) . 2_676
O3 Mo3 O21 98.5(3) . .
O3 Mo3 O22 99.2(3) . .
O21 Mo3 O22 70.1(2) . .
O3 Mo3 O39 168.6(3) . .
O21 Mo3 O39 74.1(2) . .
O22 Mo3 O39 70.3(2) . .
O3 Mo3 S4 102.2(3) . .
O21 Mo3 S4 85.32(19) . .
O22 Mo3 S4 149.53(18) . .
O39 Mo3 S4 86.14(18) . .
O3 Mo3 S3 100.7(2) . .
O21 Mo3 S3 156.17(19) . .
O22 Mo3 S3 92.90(18) . .
O39 Mo3 S3 84.62(16) . .
S4 Mo3 S3 104.16(9) . .
O3 Mo3 Mo4 104.2(2) . .
O21 Mo3 Mo4 134.79(18) . .
O22 Mo3 Mo4 140.79(17) . .
O39 Mo3 Mo4 87.01(15) . .
S4 Mo3 Mo4 52.13(6) . .
S3 Mo3 Mo4 52.32(6) . .
O3 Mo3 Mo2 124.3(2) . .
O21 Mo3 Mo2 41.68(18) . .
O22 Mo3 Mo2 40.97(16) . .
O39 Mo3 Mo2 44.67(15) . .
S4 Mo3 Mo2 108.56(6) . .
S3 Mo3 Mo2 114.75(7) . .
Mo4 Mo3 Mo2 131.35(3) . .
O4 Mo4 O23 100.3(3) . .
O4 Mo4 O24 100.2(3) . .
O23 Mo4 O24 71.1(3) . .
O4 Mo4 S4 101.5(2) . .
O23 Mo4 S4 84.99(19) . .
O24 Mo4 S4 150.16(18) . .
O4 Mo4 S3 100.9(3) . .
O23 Mo4 S3 154.4(2) . .
O24 Mo4 S3 91.2(2) . .
S4 Mo4 S3 104.57(9) . .
O4 Mo4 O40 167.1(3) . .
O23 Mo4 O40 71.3(2) . .
O24 Mo4 O40 68.2(2) . .
S4 Mo4 O40 87.74(16) . .
S3 Mo4 O40 85.18(16) . .
O4 Mo4 Mo3 103.9(2) . .
O23 Mo4 Mo3 134.05(18) . .
O24 Mo4 Mo3 139.34(19) . .
S4 Mo4 Mo3 52.34(7) . .
S3 Mo4 Mo3 52.51(6) . .
O40 Mo4 Mo3 88.78(14) . .
O4 Mo4 Mo5 124.2(2) . .
O23 Mo4 Mo5 41.26(19) . .
O24 Mo4 Mo5 40.41(17) . .
S4 Mo4 Mo5 109.80(7) . .
S3 Mo4 Mo5 113.72(7) . .
O40 Mo4 Mo5 43.27(14) . .
Mo3 Mo4 Mo5 131.83(3) . .
O4 Mo4 K8 97.8(3) . .
O23 Mo4 K8 106.6(2) . .
O24 Mo4 K8 35.8(2) . .
S4 Mo4 K8 155.34(12) . .
S3 Mo4 K8 56.29(12) . .
O40 Mo4 K8 76.04(18) . .
Mo3 Mo4 K8 108.01(11) . .
Mo5 Mo4 K8 70.54(10) . .
O5 Mo5 O24 98.5(3) . .
O5 Mo5 O23 87.5(3) . .
O24 Mo5 O23 70.1(3) . .
O5 Mo5 O40 161.0(3) . .
O24 Mo5 O40 71.4(2) . .
O23 Mo5 O40 74.0(2) . .
O5 Mo5 S5 101.2(2) . .
O24 Mo5 S5 89.1(2) . .
O23 Mo5 S5 158.5(2) . .
O40 Mo5 S5 94.82(18) . .
O5 Mo5 S6 102.0(2) . .
O24 Mo5 S6 154.01(17) . .
O23 Mo5 S6 94.95(19) . .
O40 Mo5 S6 84.24(16) . .
S5 Mo5 S6 102.24(9) . .
O5 Mo5 Mo6 92.7(2) . .
O24 Mo5 Mo6 142.00(19) . .
O23 Mo5 Mo6 147.00(19) . .
O40 Mo5 Mo6 105.13(16) . .
S5 Mo5 Mo6 53.04(6) . .
S6 Mo5 Mo6 52.74(6) . .
O5 Mo5 Mo4 114.5(2) . .
O24 Mo5 Mo4 40.28(17) . .
O23 Mo5 Mo4 40.19(19) . .
O40 Mo5 Mo4 47.57(16) . .
S5 Mo5 Mo4 119.17(7) . .
S6 Mo5 Mo4 115.25(6) . .
Mo6 Mo5 Mo4 152.68(3) . .
O6 Mo6 O25 98.3(3) . .
O6 Mo6 O26 93.4(3) . .
O25 Mo6 O26 72.5(2) . .
O6 Mo6 O42 163.0(3) . .
O25 Mo6 O42 70.2(2) . .
O26 Mo6 O42 71.5(2) . .
O6 Mo6 S6 101.3(2) . .
O25 Mo6 S6 88.63(18) . .
O26 Mo6 S6 157.67(16) . .
O42 Mo6 S6 91.12(17) . .
O6 Mo6 S5 103.0(2) . .
O25 Mo6 S5 153.7(2) . .
O26 Mo6 S5 90.84(18) . .
O42 Mo6 S5 85.44(16) . .
S6 Mo6 S5 101.97(9) . .
O6 Mo6 Mo5 93.6(2) . .
O25 Mo6 Mo5 141.30(17) . .
O26 Mo6 Mo5 143.44(18) . .
O42 Mo6 Mo5 103.17(16) . .
S6 Mo6 Mo5 52.85(6) . .
S5 Mo6 Mo5 52.64(6) . .
O6 Mo6 K1 40.7(2) . .
O25 Mo6 K1 133.84(16) . .
O26 Mo6 K1 87.25(16) . .
O42 Mo6 K1 141.80(16) . .
S6 Mo6 K1 114.83(7) . .
S5 Mo6 K1 62.90(7) . .
Mo5 Mo6 K1 75.22(4) . .
O7 Mo7 O26 95.4(3) . .
O7 Mo7 O42 93.9(3) . .
O26 Mo7 O42 73.4(2) . .
O7 Mo7 O25 160.2(3) . .
O26 Mo7 O25 69.3(2) . .
O42 Mo7 O25 70.1(2) . .
O7 Mo7 S8 104.0(2) . .
O26 Mo7 S8 154.6(2) . .
O42 Mo7 S8 88.88(16) . .
O25 Mo7 S8 87.82(16) . .
O7 Mo7 S7 103.0(2) . .
O26 Mo7 S7 89.16(17) . .
O42 Mo7 S7 156.78(18) . .
O25 Mo7 S7 89.71(17) . .
S8 Mo7 S7 102.03(8) . .
O7 Mo7 Mo8 98.1(2) . .
O26 Mo7 Mo8 140.89(17) . .
O42 Mo7 Mo8 141.35(15) . .
O25 Mo7 Mo8 101.75(16) . .
S8 Mo7 Mo8 52.59(6) . .
S7 Mo7 Mo8 52.06(6) . .
O7 Mo7 K4 46.5(2) . .
O26 Mo7 K4 98.29(18) . .
O42 Mo7 K4 139.46(18) . .
O25 Mo7 K4 145.15(15) . .
S8 Mo7 K4 106.90(8) . .
S7 Mo7 K4 56.78(8) . .
Mo8 Mo7 K4 66.75(4) . .
O8 Mo8 O28 114.5(3) . .
O8 Mo8 O27 100.8(3) . .
O28 Mo8 O27 71.6(3) . .
O8 Mo8 S7 106.4(2) . .
O28 Mo8 S7 136.1(2) . .
O27 Mo8 S7 86.21(18) . .
O8 Mo8 S8 102.3(2) . .
O28 Mo8 S8 84.6(2) . .
O27 Mo8 S8 152.0(2) . .
S7 Mo8 S8 102.06(8) . .
O8 Mo8 Mo7 99.4(2) . .
O28 Mo8 Mo7 130.0(2) . .
O27 Mo8 Mo7 138.01(18) . .
S7 Mo8 Mo7 52.78(6) . .
S8 Mo8 Mo7 51.90(6) . .
O8 Mo8 K4 46.8(2) . .
O28 Mo8 K4 156.9(2) . .
O27 Mo8 K4 96.58(19) . .
S7 Mo8 K4 59.63(8) . .
S8 Mo8 K4 110.72(7) . .
Mo7 Mo8 K4 72.03(4) . .
O8 Mo8 K3 35.2(2) . .
O28 Mo8 K3 108.53(19) . .
O27 Mo8 K3 133.8(2) . .
S7 Mo8 K3 113.99(8) . .
S8 Mo8 K3 67.14(7) . .
Mo7 Mo8 K3 78.82(4) . .
K4 Mo8 K3 64.89(5) . .
O9 Mo9 O27 92.0(3) . .
O9 Mo9 O28 155.8(3) . .
O27 Mo9 O28 67.1(2) . .
O9 Mo9 O54 87.5(3) . .
O27 Mo9 O54 80.5(3) . .
O28 Mo9 O54 77.3(3) . .
O9 Mo9 S10 104.4(3) . .
O27 Mo9 S10 156.47(19) . .
O28 Mo9 S10 92.63(17) . .
O54 Mo9 S10 83.5(2) . .
O9 Mo9 S9 102.6(3) . .
O27 Mo9 S9 89.4(2) . .
O28 Mo9 S9 89.9(2) . .
O54 Mo9 S9 166.0(2) . .
S10 Mo9 S9 102.97(10) . .
O9 Mo9 Mo10 97.9(3) . .
O27 Mo9 Mo10 142.12(19) . .
O28 Mo9 Mo10 106.14(19) . .
O54 Mo9 Mo10 136.14(18) . .
S10 Mo9 Mo10 52.92(7) . .
S9 Mo9 Mo10 52.78(7) . .
O10 Mo10 O29 96.5(4) . .
O10 Mo10 O30 90.4(3) . .
O29 Mo10 O30 71.4(3) . .
O10 Mo10 O45 161.1(3) . .
O29 Mo10 O45 70.7(3) . .
O30 Mo10 O45 72.6(2) . .
O10 Mo10 S9 102.7(3) . .
O29 Mo10 S9 89.4(2) . .
O30 Mo10 S9 158.0(2) . .
O45 Mo10 S9 91.30(17) . .
O10 Mo10 S10 102.9(3) . .
O29 Mo10 S10 154.2(2) . .
O30 Mo10 S10 91.5(2) . .
O45 Mo10 S10 85.99(19) . .
S9 Mo10 S10 102.48(10) . .
O10 Mo10 Mo9 96.8(3) . .
O29 Mo10 Mo9 141.70(19) . .
O30 Mo10 Mo9 144.0(2) . .
O45 Mo10 Mo9 101.82(17) . .
S9 Mo10 Mo9 52.64(8) . .
S10 Mo10 Mo9 52.55(7) . .
O10 Mo10 Mo11 115.9(3) . .
O29 Mo10 Mo11 40.93(18) . .
O30 Mo10 Mo11 41.12(19) . .
O45 Mo10 Mo11 45.50(17) . .
S9 Mo10 Mo11 116.92(8) . .
S10 Mo10 Mo11 113.98(7) . .
Mo9 Mo10 Mo11 147.32(4) . .
O11 Mo11 O29 98.6(3) . .
O11 Mo11 O30 96.3(3) . .
O29 Mo11 O30 71.9(3) . .
O11 Mo11 O45 166.0(3) . .
O29 Mo11 O45 70.3(3) . .
O30 Mo11 O45 72.5(2) . .
O11 Mo11 S11 102.6(3) . .
O29 Mo11 S11 88.5(2) . .
O30 Mo11 S11 154.7(2) . .
O45 Mo11 S11 85.97(18) . .
O11 Mo11 S12 101.5(3) . .
O29 Mo11 S12 152.5(2) . .
O30 Mo11 S12 87.30(19) . .
O45 Mo11 S12 86.60(17) . .
S11 Mo11 S12 105.07(10) . .
O11 Mo11 Mo12 104.6(3) . .
O29 Mo11 Mo12 137.9(2) . .
O30 Mo11 Mo12 137.64(18) . .
O45 Mo11 Mo12 89.35(16) . .
S11 Mo11 Mo12 52.59(7) . .
S12 Mo11 Mo12 52.89(7) . .
O11 Mo11 Mo10 121.1(3) . .
O29 Mo11 Mo10 41.0(2) . .
O30 Mo11 Mo10 41.68(18) . .
O45 Mo11 Mo10 44.92(16) . .
S11 Mo11 Mo10 113.11(8) . .
S12 Mo11 Mo10 111.69(8) . .
Mo12 Mo11 Mo10 134.25(4) . .
O12 Mo12 O32 96.5(3) . .
O12 Mo12 O31 102.4(3) . .
O32 Mo12 O31 72.2(3) . .
O12 Mo12 O46 167.8(3) . .
O32 Mo12 O46 72.9(3) . .
O31 Mo12 O46 69.1(3) . .
O12 Mo12 S11 100.8(3) . .
O32 Mo12 S11 156.5(2) . .
O31 Mo12 S11 88.6(2) . .
O46 Mo12 S11 87.89(18) . .
O12 Mo12 S12 102.4(3) . .
O32 Mo12 S12 86.6(2) . .
O31 Mo12 S12 149.0(2) . .
O46 Mo12 S12 83.36(17) . .
S11 Mo12 S12 104.82(10) . .
O12 Mo12 Mo11 103.8(3) . .
O32 Mo12 Mo11 137.4(2) . .
O31 Mo12 Mo11 136.2(2) . .
O46 Mo12 Mo11 88.27(16) . .
S11 Mo12 Mo11 52.41(7) . .
S12 Mo12 Mo11 52.80(7) . .
O12 Mo12 Mo13 124.0(3) . .
O32 Mo12 Mo13 41.62(19) . .
O31 Mo12 Mo13 41.74(19) . .
O46 Mo12 Mo13 43.89(16) . .
S11 Mo12 Mo13 114.93(8) . .
S12 Mo12 Mo13 107.87(8) . .
Mo11 Mo12 Mo13 132.09(4) . .
O13 Mo13 O32 90.2(3) . .
O13 Mo13 O31 94.3(3) . .
O32 Mo13 O31 70.7(3) . .
O13 Mo13 O46 160.0(3) . .
O32 Mo13 O46 73.5(2) . .
O31 Mo13 O46 69.7(3) . .
O13 Mo13 S14 104.3(3) . .
O32 Mo13 S14 89.2(2) . .
O31 Mo13 S14 152.8(2) . .
O46 Mo13 S14 87.32(18) . .
O13 Mo13 S13 102.4(2) . .
O32 Mo13 S13 160.53(19) . .
O31 Mo13 S13 93.3(2) . .
O46 Mo13 S13 90.77(18) . .
S14 Mo13 S13 101.73(9) . .
O13 Mo13 Mo14 96.3(3) . .
O32 Mo13 Mo14 141.55(19) . .
O31 Mo13 Mo14 145.65(19) . .
O46 Mo13 Mo14 103.64(18) . .
S14 Mo13 Mo14 52.41(7) . .
S13 Mo13 Mo14 52.53(6) . .
O13 Mo13 Mo12 114.5(3) . .
O32 Mo13 Mo12 40.67(18) . .
O31 Mo13 Mo12 40.89(18) . .
O46 Mo13 Mo12 45.56(17) . .
S14 Mo13 Mo12 112.18(7) . .
S13 Mo13 Mo12 119.86(7) . .
Mo14 Mo13 Mo12 148.94(4) . .
O14 Mo14 O34 91.0(3) . .
O14 Mo14 O48 89.1(3) . .
O34 Mo14 O48 84.2(2) . .
O14 Mo14 O33 155.3(3) . .
O34 Mo14 O33 69.4(2) . .
O48 Mo14 O33 74.6(2) . .
O14 Mo14 S14 102.1(2) . .
O34 Mo14 S14 83.60(18) . .
O48 Mo14 S14 163.58(19) . .
O33 Mo14 S14 90.81(17) . .
O14 Mo14 S13 106.1(2) . .
O34 Mo14 S13 160.26(17) . .
O48 Mo14 S13 86.15(17) . .
O33 Mo14 S13 91.48(17) . .
S14 Mo14 S13 102.00(9) . .
O14 Mo14 Mo13 97.5(3) . .
O34 Mo14 Mo13 135.98(17) . .
O48 Mo14 Mo13 138.75(17) . .
O33 Mo14 Mo13 107.06(17) . .
S14 Mo14 Mo13 52.38(7) . .
S13 Mo14 Mo13 52.84(7) . .
O14 Mo14 K7 66.5(3) . .
O34 Mo14 K7 42.3(2) . .
O48 Mo14 K7 116.6(2) . .
O33 Mo14 K7 104.0(2) . .
S14 Mo14 K7 59.01(19) . .
S13 Mo14 K7 155.0(2) . .
Mo13 Mo14 K7 103.21(19) . .
O14 Mo14 K6' 36.9(4) . 1_455
O34 Mo14 K6' 55.0(3) . 1_455
O48 Mo14 K6' 78.5(3) . 1_455
O33 Mo14 K6' 119.8(3) . 1_455
S14 Mo14 K6' 103.2(2) . 1_455
S13 Mo14 K6' 139.0(2) . 1_455
Mo13 Mo14 K6' 127.9(3) . 1_455
K7 Mo14 K6' 46.5(3) . 1_455
O15 Mo15 O34 95.4(3) . .
O15 Mo15 O33 98.6(3) . .
O34 Mo15 O33 72.1(2) . .
O15 Mo15 O50 170.4(3) . .
O34 Mo15 O50 75.8(2) . .
O33 Mo15 O50 75.0(2) . .
O15 Mo15 S15 102.0(2) . .
O34 Mo15 S15 88.10(18) . .
O33 Mo15 S15 152.61(18) . .
O50 Mo15 S15 82.02(16) . .
O15 Mo15 S16 100.7(2) . .
O34 Mo15 S16 157.27(17) . .
O33 Mo15 S16 89.58(17) . .
O50 Mo15 S16 86.70(16) . .
S15 Mo15 S16 103.97(9) . .
O15 Mo15 Mo16 100.9(3) . .
O34 Mo15 Mo16 139.13(18) . .
O33 Mo15 Mo16 140.03(16) . .
O50 Mo15 Mo16 88.48(16) . .
S15 Mo15 Mo16 52.03(6) . .
S16 Mo15 Mo16 52.74(6) . .
O16 Mo16 O36 99.8(3) . .
O16 Mo16 O35 94.6(3) . .
O36 Mo16 O35 69.3(2) . .
O16 Mo16 O51 163.6(3) . .
O36 Mo16 O51 74.2(2) . .
O35 Mo16 O51 69.0(2) . .
O16 Mo16 S15 102.7(2) . .
O36 Mo16 S15 85.55(18) . .
O35 Mo16 S15 151.59(18) . .
O51 Mo16 S15 92.12(17) . .
O16 Mo16 S16 102.0(2) . .
O36 Mo16 S16 153.62(17) . .
O35 Mo16 S16 94.29(17) . .
O51 Mo16 S16 80.78(17) . .
S15 Mo16 S16 103.74(9) . .
O16 Mo16 Mo15 102.6(3) . .
O36 Mo16 Mo15 135.20(17) . .
O35 Mo16 Mo15 144.96(16) . .
O51 Mo16 Mo15 91.91(17) . .
S15 Mo16 Mo15 51.96(6) . .
S16 Mo16 Mo15 52.58(6) . .
O16 Mo16 Mo17 120.9(3) . .
O36 Mo16 Mo17 40.34(16) . .
O35 Mo16 Mo17 40.43(17) . .
O51 Mo16 Mo17 45.34(17) . .
S15 Mo16 Mo17 111.29(7) . .
S16 Mo16 Mo17 114.22(6) . .
Mo15 Mo16 Mo17 136.40(3) . .
O17 Mo17 O35 101.1(3) . .
O17 Mo17 O36 95.0(3) . .
O35 Mo17 O36 70.2(2) . .
O17 Mo17 O51 167.2(3) . .
O35 Mo17 O51 69.4(2) . .
O36 Mo17 O51 74.0(2) . .
O17 Mo17 S18 100.6(2) . .
O35 Mo17 S18 91.17(17) . .
O36 Mo17 S18 157.76(19) . .
O51 Mo17 S18 88.40(16) . .
O17 Mo17 S17 100.0(2) . .
O35 Mo17 S17 150.39(19) . .
O36 Mo17 S17 87.52(18) . .
O51 Mo17 S17 86.22(16) . .
S18 Mo17 S17 105.04(8) . .
O17 Mo17 Mo18 102.7(2) . .
O35 Mo17 Mo18 139.58(16) . .
O36 Mo17 Mo18 138.47(17) . .
O51 Mo17 Mo18 90.05(15) . .
S18 Mo17 Mo18 52.58(6) . .
S17 Mo17 Mo18 52.73(6) . .
O17 Mo17 Mo16 122.3(2) . .
O35 Mo17 Mo16 41.37(17) . .
O36 Mo17 Mo16 40.56(17) . .
O51 Mo17 Mo16 44.87(15) . .
S18 Mo17 Mo16 117.21(7) . .
S17 Mo17 Mo16 109.21(7) . .
Mo18 Mo17 Mo16 134.69(4) . .
O17 Mo17 K2 43.1(2) . .
O35 Mo17 K2 143.61(17) . .
O36 Mo17 K2 101.32(18) . .
O51 Mo17 K2 144.24(15) . .
S18 Mo17 K2 100.89(7) . .
S17 Mo17 K2 58.03(7) . .
Mo18 Mo17 K2 69.86(4) . .
Mo16 Mo17 K2 141.89(4) . .
O18 Mo18 O38 100.3(3) . .
O18 Mo18 O37 101.7(3) . .
O38 Mo18 O37 68.0(2) . .
O18 Mo18 O52 172.9(3) . .
O38 Mo18 O52 73.9(2) . .
O37 Mo18 O52 72.3(2) . .
O18 Mo18 S18 99.4(2) . .
O38 Mo18 S18 152.93(18) . .
O37 Mo18 S18 89.86(17) . .
O52 Mo18 S18 84.81(17) . .
O18 Mo18 S17 100.9(2) . .
O38 Mo18 S17 89.59(17) . .
O37 Mo18 S17 150.57(18) . .
O52 Mo18 S17 83.48(16) . .
S18 Mo18 S17 104.72(8) . .
O18 Mo18 Mo17 102.3(2) . .
O38 Mo18 Mo17 138.79(18) . .
O37 Mo18 Mo17 137.90(17) . .
O52 Mo18 Mo17 84.83(15) . .
S18 Mo18 Mo17 52.41(6) . .
S17 Mo18 Mo17 52.57(6) . .
O18 Mo18 Mo19 130.5(2) . .
O38 Mo18 Mo19 42.94(17) . .
O37 Mo18 Mo19 42.09(16) . .
O52 Mo18 Mo19 42.31(15) . .
S18 Mo18 Mo19 110.05(6) . .
S17 Mo18 Mo19 108.48(7) . .
Mo17 Mo18 Mo19 127.14(4) . .
O18 Mo18 K2 45.4(2) . .
O38 Mo18 K2 107.87(17) . .
O37 Mo18 K2 146.76(18) . .
O52 Mo18 K2 139.98(15) . .
S18 Mo18 K2 99.18(7) . .
S17 Mo18 K2 56.87(7) . .
Mo17 Mo18 K2 67.66(4) . .
Mo19 Mo18 K2 150.26(4) . .
O19 Mo19 O37 101.5(3) . .
O19 Mo19 O52 166.4(3) . .
O37 Mo19 O52 72.7(2) . .
O19 Mo19 O38 93.1(3) . .
O37 Mo19 O38 67.2(2) . .
O52 Mo19 O38 73.3(2) . .
O19 Mo19 S20 102.1(2) . .
O37 Mo19 S20 87.98(17) . .
O52 Mo19 S20 90.24(17) . .
O38 Mo19 S20 153.21(18) . .
O19 Mo19 S19 99.7(2) . .
O37 Mo19 S19 153.21(16) . .
O52 Mo19 S19 82.91(17) . .
O38 Mo19 S19 95.49(18) . .
S20 Mo19 S19 103.43(9) . .
O19 Mo19 Mo20 107.3(2) . .
O37 Mo19 Mo20 133.63(17) . .
O52 Mo19 Mo20 84.92(17) . .
O38 Mo19 Mo20 143.51(18) . .
S20 Mo19 Mo20 51.25(6) . .
S19 Mo19 Mo20 52.18(6) . .
O19 Mo19 Mo18 125.2(2) . .
O37 Mo19 Mo18 42.19(15) . .
O52 Mo19 Mo18 42.70(17) . .
O38 Mo19 Mo18 41.75(16) . .
S20 Mo19 Mo18 112.45(6) . .
S19 Mo19 Mo18 111.36(6) . .
Mo20 Mo19 Mo18 127.43(3) . .
O19 Mo19 K4 39.0(2) . 2_776
O37 Mo19 K4 115.85(16) . 2_776
O52 Mo19 K4 154.62(17) . 2_776
O38 Mo19 K4 131.98(17) . 2_776
S20 Mo19 K4 67.20(7) . 2_776
S19 Mo19 K4 90.94(7) . 2_776
Mo20 Mo19 K4 72.06(4) . 2_776
Mo18 Mo19 K4 156.45(5) . 2_776
O19 Mo19 K6 40.8(2) . 2_776
O37 Mo19 K6 78.39(19) . 2_776
O52 Mo19 K6 125.59(18) . 2_776
O38 Mo19 K6 53.09(18) . 2_776
S20 Mo19 K6 134.02(9) . 2_776
S19 Mo19 K6 108.29(9) . 2_776
Mo20 Mo19 K6 144.32(9) . 2_776
Mo18 Mo19 K6 85.89(8) . 2_776
K4 Mo19 K6 79.72(8) 2_776 2_776
O20 Mo20 O43 95.7(3) . .
O20 Mo20 O49 103.0(3) . .
O43 Mo20 O49 75.9(2) . .
O20 Mo20 O53 166.3(3) . .
O43 Mo20 O53 72.8(2) . .
O49 Mo20 O53 67.4(2) . .
O20 Mo20 S20 101.5(2) . .
O43 Mo20 S20 86.87(19) . .
O49 Mo20 S20 151.15(17) . .
O53 Mo20 S20 85.65(17) . .
O20 Mo20 S19 100.3(2) . .
O43 Mo20 S19 157.55(17) . .
O49 Mo20 S19 85.27(16) . .
O53 Mo20 S19 88.90(15) . .
S20 Mo20 S19 104.96(9) . .
O20 Mo20 Mo19 107.7(2) . .
O43 Mo20 Mo19 135.44(18) . .
O49 Mo20 Mo19 131.18(15) . .
O53 Mo20 Mo19 85.93(16) . .
S20 Mo20 Mo19 52.13(6) . .
S19 Mo20 Mo19 52.83(6) . .
O20 Mo20 K4 45.3(2) . 2_776
O43 Mo20 K4 115.56(16) . 2_776
O49 Mo20 K4 144.95(16) . 2_776
O53 Mo20 K4 146.57(17) . 2_776
S20 Mo20 K4 63.61(7) . 2_776
S19 Mo20 K4 86.89(7) . 2_776
Mo19 Mo20 K4 65.33(4) . 2_776
O41 Te1 O39 97.1(3) . .
O41 Te1 O40 99.7(3) . .
O39 Te1 O40 89.7(3) . .
O43 Te2 O42 95.7(3) . .
O43 Te2 O44 89.6(3) . .
O42 Te2 O44 93.2(3) . .
O43 Te2 O41 83.1(2) . .
O42 Te2 O41 87.7(3) . .
O44 Te2 O41 172.7(2) . .
O47 Te3 O45 98.6(3) . .
O47 Te3 O46 97.3(3) . .
O45 Te3 O46 92.5(3) . .
O50 Te4 O48 90.2(3) . .
O50 Te4 O49 99.4(2) . .
O48 Te4 O49 75.5(3) . .
O50 Te4 O53 74.3(2) . .
O48 Te4 O53 142.3(2) . .
O49 Te4 O53 73.6(2) . .
O50 Te4 Mo1 96.90(19) . .
O48 Te4 Mo1 38.04(18) . .
O49 Te4 Mo1 37.47(18) . .
O53 Te4 Mo1 108.79(16) . .
O50 Te4 K3 82.61(19) . .
O48 Te4 K3 172.00(17) . .
O49 Te4 K3 109.07(19) . .
O53 Te4 K3 38.42(16) . .
Mo1 Te4 K3 146.26(4) . .
O51 Te5 O52 88.2(3) . .
O51 Te5 O53 101.5(3) . .
O52 Te5 O53 81.2(3) . .
O51 Te5 O50 87.9(3) . .
O52 Te5 O50 150.7(2) . .
O53 Te5 O50 71.2(2) . .
O51 Te5 K3 58.88(18) . .
O52 Te5 K3 64.95(18) . .
O53 Te5 K3 46.37(18) . .
O50 Te5 K3 88.40(15) . .
Mo2 S1 Mo1 75.64(8) . .
Mo1 S2 Mo2 75.84(8) . .
Mo4 S3 Mo3 75.18(8) . .
Mo4 S3 K8 88.50(15) . .
Mo3 S3 K8 160.15(15) . .
Mo4 S4 Mo3 75.53(8) . .
Mo5 S5 Mo6 74.32(8) . .
Mo5 S5 K1 89.41(8) . .
Mo6 S5 K1 81.67(8) . .
Mo5 S5 K8 87.41(14) . .
Mo6 S5 K8 160.13(15) . .
K1 S5 K8 106.34(13) . .
Mo6 S6 Mo5 74.41(7) . .
Mo8 S7 Mo7 75.16(7) . .
Mo8 S7 K6' 165.4(3) . .
Mo7 S7 K6' 119.4(3) . .
Mo8 S7 K6 171.31(14) . .
Mo7 S7 K6 96.22(12) . .
Mo8 S7 K4 84.74(8) . .
Mo7 S7 K4 88.44(9) . .
K6' S7 K4 94.1(3) . .
K6 S7 K4 94.08(12) . .
Mo7 S8 Mo8 75.51(7) . .
Mo7 S8 K3 90.42(9) . .
Mo8 S8 K3 77.87(8) . .
Mo9 S9 Mo10 74.58(8) . .
Mo9 S10 Mo10 74.53(8) . .
Mo11 S11 Mo12 75.00(8) . .
Mo11 S12 Mo12 74.31(8) . .
Mo14 S13 Mo13 74.62(7) . .
Mo13 S14 Mo14 75.21(8) . .
Mo13 S14 K7 138.7(2) . .
Mo14 S14 K7 85.6(2) . .
Mo15 S15 Mo16 76.01(7) . .
Mo15 S15 K9 167.64(16) . .
Mo16 S15 K9 95.82(15) . .
Mo15 S16 Mo16 74.68(7) . .
Mo15 S16 K3 125.18(9) . .
Mo16 S16 K3 101.65(9) . .
Mo17 S17 Mo18 74.69(7) . .
Mo17 S17 K2 85.17(8) . .
Mo18 S17 K2 86.80(8) . .
Mo17 S17 K9 90.45(13) . .
Mo18 S17 K9 164.05(14) . .
K2 S17 K9 97.89(14) . .
Mo17 S18 Mo18 75.01(7) . .
Mo17 S18 K3 101.92(9) . .
Mo18 S18 K3 108.76(9) . .
Mo20 S19 Mo19 74.98(7) . .
Mo20 S20 Mo19 76.62(7) . .
Mo20 S20 K3 93.19(8) . .
Mo19 S20 K3 101.97(8) . .
Mo20 S20 K4 82.00(8) . 2_776
Mo19 S20 K4 76.76(7) . 2_776
K3 S20 K4 175.18(9) . 2_776
O58 K1 O18 172.4(3) . 2_776
O58 K1 O55 81.5(3) . .
O18 K1 O55 91.5(2) 2_776 .
O58 K1 O56 93.4(3) . .
O18 K1 O56 86.9(2) 2_776 .
O55 K1 O56 69.6(2) . .
O58 K1 O90 74.2(5) . 1_655
O18 K1 O90 106.5(4) 2_776 1_655
O55 K1 O90 115.8(3) . 1_655
O56 K1 O90 165.0(4) . 1_655
O58 K1 O6 79.6(3) . .
O18 K1 O6 107.4(2) 2_776 .
O55 K1 O6 161.1(2) . .
O56 K1 O6 111.9(2) . .
O90 K1 O6 58.2(3) 1_655 .
O58 K1 O2 115.5(3) . 1_655
O18 K1 O2 58.26(18) 2_776 1_655
O55 K1 O2 65.52(19) . 1_655
O56 K1 O2 120.6(2) . 1_655
O90 K1 O2 73.4(4) 1_655 1_655
O6 K1 O2 123.3(2) . 1_655
O58 K1 O97 107.1(5) . .
O18 K1 O97 74.7(4) 2_776 .
O55 K1 O97 126.7(4) . .
O56 K1 O97 154.9(4) . .
O90 K1 O97 33.4(5) 1_655 .
O6 K1 O97 59.8(4) . .
O2 K1 O97 63.5(4) 1_655 .
O58 K1 O5 71.9(3) . .
O18 K1 O5 114.21(19) 2_776 .
O55 K1 O5 116.0(2) . .
O56 K1 O5 55.81(19) . .
O90 K1 O5 111.1(3) 1_655 .
O6 K1 O5 57.79(17) . .
O2 K1 O5 172.4(2) 1_655 .
O97 K1 O5 116.5(4) . .
O58 K1 S5 122.6(2) . .
O18 K1 S5 64.80(13) 2_776 .
O55 K1 S5 136.51(17) . .
O56 K1 S5 73.06(16) . .
O90 K1 S5 106.1(3) 1_655 .
O6 K1 S5 57.21(13) . .
O2 K1 S5 119.32(15) 1_655 .
O97 K1 S5 83.6(4) . .
O5 K1 S5 54.04(13) . .
O58 K1 Mo6 98.3(3) . .
O18 K1 Mo6 89.17(13) 2_776 .
O55 K1 Mo6 168.81(16) . .
O56 K1 Mo6 99.31(15) . .
O90 K1 Mo6 74.6(3) 1_655 .
O6 K1 Mo6 22.03(12) . .
O2 K1 Mo6 123.69(14) 1_655 .
O97 K1 Mo6 64.2(4) . .
O5 K1 Mo6 53.91(11) . .
S5 K1 Mo6 35.44(4) . .
O58 K1 K2 124.5(3) . 2_776
O18 K1 K2 48.29(13) 2_776 2_776
O55 K1 K2 43.27(16) . 2_776
O56 K1 K2 74.80(16) . 2_776
O90 K1 K2 119.1(3) 1_655 2_776
O6 K1 K2 155.41(16) . 2_776
O2 K1 K2 45.82(13) 1_655 2_776
O97 K1 K2 103.7(4) . 2_776
O5 K1 K2 129.65(14) . 2_776
S5 K1 K2 105.70(8) . 2_776
Mo6 K1 K2 136.81(7) . 2_776
O67 K2 O17 68.4(2) 1_445 2_666
O67 K2 O55 121.7(2) 1_445 2_776
O17 K2 O55 69.3(2) 2_666 2_776
O67 K2 O17 66.4(2) 1_445 .
O17 K2 O17 83.4(2) 2_666 .
O55 K2 O17 142.6(2) 2_776 .
O67 K2 O2 153.5(2) 1_445 2_676
O17 K2 O2 133.9(2) 2_666 2_676
O55 K2 O2 68.2(2) 2_776 2_676
O17 K2 O2 122.82(19) . 2_676
O67 K2 O22 95.2(2) 1_445 2_676
O17 K2 O22 130.57(19) 2_666 2_676
O55 K2 O22 83.5(2) 2_776 2_676
O17 K2 O22 133.8(2) . 2_676
O2 K2 O22 60.01(17) 2_676 2_676
O67 K2 O18 140.5(2) 1_445 .
O17 K2 O18 104.16(18) 2_666 .
O55 K2 O18 87.78(19) 2_776 .
O17 K2 O18 74.29(17) . .
O2 K2 O18 57.53(17) 2_676 .
O22 K2 O18 115.49(18) 2_676 .
O67 K2 S17 101.83(18) 1_445 .
O17 K2 S17 141.92(15) 2_666 .
O55 K2 S17 135.88(16) 2_776 .
O17 K2 S17 59.82(14) . .
O2 K2 S17 69.40(15) 2_676 .
O22 K2 S17 85.76(15) 2_676 .
O18 K2 S17 59.13(13) . .
O67 K2 Mo2 128.72(16) 1_445 2_676
O17 K2 Mo2 141.33(16) 2_666 2_676
O55 K2 Mo2 72.97(15) 2_776 2_676
O17 K2 Mo2 134.07(15) . 2_676
O2 K2 Mo2 25.76(12) 2_676 2_676
O22 K2 Mo2 34.25(12) 2_676 2_676
O18 K2 Mo2 82.27(12) . 2_676
S17 K2 Mo2 74.25(6) . 2_676
O67 K2 Mo17 82.76(17) 1_445 .
O17 K2 Mo17 105.43(14) 2_666 .
O55 K2 Mo17 146.95(14) 2_776 .
O17 K2 Mo17 23.56(13) . .
O2 K2 Mo17 100.49(14) 2_676 .
O22 K2 Mo17 118.75(15) 2_676 .
O18 K2 Mo17 61.22(13) . .
S17 K2 Mo17 36.80(5) . .
Mo2 K2 Mo17 110.74(6) 2_676 .
O67 K2 Mo18 125.23(18) 1_445 .
O17 K2 Mo18 118.76(13) 2_666 .
O55 K2 Mo18 109.72(15) 2_776 .
O17 K2 Mo18 61.43(12) . .
O2 K2 Mo18 62.29(13) 2_676 .
O22 K2 Mo18 108.87(13) 2_676 .
O18 K2 Mo18 23.38(13) . .
S17 K2 Mo18 36.34(4) . .
Mo2 K2 Mo18 81.74(4) 2_676 .
Mo17 K2 Mo18 42.48(3) . .
O67 K2 K1 156.03(17) 1_445 2_776
O17 K2 K1 87.64(15) 2_666 2_776
O55 K2 K1 44.24(14) 2_776 2_776
O17 K2 K1 112.17(14) . 2_776
O2 K2 K1 48.86(14) 2_676 2_776
O22 K2 K1 100.96(14) 2_676 2_776
O18 K2 K1 43.61(13) . 2_776
S17 K2 K1 96.98(7) . 2_776
Mo2 K2 K1 70.77(5) 2_676 2_776
Mo17 K2 K1 104.40(6) . 2_776
Mo18 K2 K1 65.66(5) . 2_776
O60 K3 O8 77.8(2) . .
O60 K3 O53 136.2(2) . .
O8 K3 O53 134.5(2) . .
O60 K3 O59 78.0(2) . .
O8 K3 O59 63.76(19) . .
O53 K3 O59 137.64(19) . .
O60 K3 O51 132.4(2) . .
O8 K3 O51 126.30(18) . .
O53 K3 O51 59.22(16) . .
O59 K3 O51 79.33(17) . .
O60 K3 S18 73.25(16) . .
O8 K3 S18 122.46(16) . .
O53 K3 S18 99.41(14) . .
O59 K3 S18 62.18(16) . .
O51 K3 S18 59.16(13) . .
O60 K3 O52 104.84(19) . .
O8 K3 O52 173.19(18) . .
O53 K3 O52 47.15(17) . .
O59 K3 O52 110.38(18) . .
O51 K3 O52 47.35(15) . .
S18 K3 O52 53.62(12) . .
O60 K3 S16 144.72(16) . .
O8 K3 S16 77.50(14) . .
O53 K3 S16 78.64(14) . .
O59 K3 S16 68.63(15) . .
O51 K3 S16 52.43(13) . .
S18 K3 S16 99.73(8) . .
O52 K3 S16 97.30(11) . .
O60 K3 S20 80.11(16) . .
O8 K3 S20 133.08(15) . .
O53 K3 S20 56.37(14) . .
O59 K3 S20 147.83(18) . .
O51 K3 S20 98.94(12) . .
S18 K3 S20 89.08(8) . .
O52 K3 S20 53.73(10) . .
S16 K3 S20 135.01(8) . .
O60 K3 S8 119.40(16) . .
O8 K3 S8 55.68(15) . .
O53 K3 S8 79.01(14) . .
O59 K3 S8 107.81(17) . .
O51 K3 S8 107.21(14) . .
S18 K3 S8 163.29(9) . .
O52 K3 S8 126.06(13) . .
S16 K3 S8 63.59(6) . .
S20 K3 S8 103.38(8) . .
O60 K3 Te5 135.82(17) . .
O8 K3 Te5 145.45(16) . .
O53 K3 Te5 30.78(12) . .
O59 K3 Te5 109.36(14) . .
O51 K3 Te5 30.20(11) . .
S18 K3 Te5 72.82(6) . .
O52 K3 Te5 31.07(10) . .
S16 K3 Te5 68.99(5) . .
S20 K3 Te5 71.92(5) . .
S8 K3 Te5 100.23(6) . .
O60 K3 Mo8 93.97(16) . .
O8 K3 Mo8 20.69(14) . .
O53 K3 Mo8 113.84(15) . .
O59 K3 Mo8 79.56(15) . .
O51 K3 Mo8 122.05(13) . .
S18 K3 Mo8 141.25(8) . .
O52 K3 Mo8 160.08(13) . .
S16 K3 Mo8 69.62(6) . .
S20 K3 Mo8 125.40(7) . .
S8 K3 Mo8 34.99(4) . .
Te5 K3 Mo8 130.08(6) . .
O60 K4 O19 128.5(2) . 2_776
O60 K4 O62 104.4(2) . .
O19 K4 O62 127.0(2) 2_776 .
O60 K4 O76 129.3(3) . 1_655
O19 K4 O76 75.1(2) 2_776 1_655
O62 K4 O76 73.6(2) . 1_655
O60 K4 O8 73.27(19) . .
O19 K4 O8 120.8(2) 2_776 .
O62 K4 O8 67.0(2) . .
O76 K4 O8 139.0(2) 1_655 .
O60 K4 O20 72.97(19) . 2_776
O19 K4 O20 83.3(2) 2_776 2_776
O62 K4 O20 119.7(2) . 2_776
O76 K4 O20 65.9(2) 1_655 2_776
O8 K4 O20 146.13(19) . 2_776
O60 K4 O7 80.6(2) . .
O19 K4 O7 66.60(18) 2_776 .
O62 K4 O7 127.7(2) . .
O76 K4 O7 141.5(2) 1_655 .
O8 K4 O7 65.07(17) . .
O20 K4 O7 111.56(18) 2_776 .
O60 K4 S7 125.90(17) . .
O19 K4 S7 66.67(16) 2_776 .
O62 K4 S7 81.0(2) . .
O76 K4 S7 104.2(2) 1_655 .
O8 K4 S7 59.46(14) . .
O20 K4 S7 149.92(14) 2_776 .
O7 K4 S7 57.43(13) . .
O60 K4 S20 72.13(15) . 2_776
O19 K4 S20 57.01(15) 2_776 2_776
O62 K4 S20 173.5(2) . 2_776
O76 K4 S20 104.03(17) 1_655 2_776
O8 K4 S20 116.36(14) . 2_776
O20 K4 S20 54.23(13) 2_776 2_776
O7 K4 S20 57.80(13) . 2_776
S7 K4 S20 105.50(8) . 2_776
O60 K4 Mo19 108.10(16) . 2_776
O19 K4 Mo19 22.82(15) 2_776 2_776
O62 K4 Mo19 146.46(18) . 2_776
O76 K4 Mo19 79.60(16) 1_655 2_776
O8 K4 Mo19 130.74(14) . 2_776
O20 K4 Mo19 64.17(13) 2_776 2_776
O7 K4 Mo19 66.69(12) . 2_776
S7 K4 Mo19 86.45(7) . 2_776
S20 K4 Mo19 36.04(4) 2_776 2_776
O60 K4 Mo8 94.65(16) . .
O19 K4 Mo8 99.30(16) 2_776 .
O62 K4 Mo8 70.17(18) . .
O76 K4 Mo8 128.63(19) 1_655 .
O8 K4 Mo8 23.82(13) . .
O20 K4 Mo8 165.43(14) 2_776 .
O7 K4 Mo8 57.58(12) . .
S7 K4 Mo8 35.63(4) . .
S20 K4 Mo8 115.29(7) 2_776 .
Mo19 K4 Mo8 114.42(6) 2_776 .
O60 K4 Mo20 79.69(15) . 2_776
O19 K4 Mo20 63.71(15) 2_776 2_776
O62 K4 Mo20 140.32(19) . 2_776
O76 K4 Mo20 73.87(17) 1_655 2_776
O8 K4 Mo20 146.73(14) . 2_776
O20 K4 Mo20 22.77(12) 2_776 2_776
O7 K4 Mo20 91.94(13) . 2_776
S7 K4 Mo20 129.01(7) . 2_776
S20 K4 Mo20 34.40(4) 2_776 2_776
Mo19 K4 Mo20 42.61(3) 2_776 2_776
Mo8 K4 Mo20 149.51(7) . 2_776
O65 K5 O66 86.2(3) . .
O65 K5 O58 133.2(3) . 2_775
O66 K5 O58 137.2(3) . 2_775
O65 K5 O16 69.3(2) . 2_665
O66 K5 O16 89.5(2) . 2_665
O58 K5 O16 90.8(3) 2_775 2_665
O65 K5 O5 149.2(2) . 2_775
O66 K5 O5 68.5(2) . 2_775
O58 K5 O5 76.8(3) 2_775 2_775
O16 K5 O5 125.3(2) 2_665 2_775
O65 K5 O11 82.7(2) . .
O66 K5 O11 154.2(3) . .
O58 K5 O11 63.3(3) 2_775 .
O16 K5 O11 108.1(2) 2_665 .
O5 K5 O11 112.4(2) 2_775 .
O65 K5 O63 73.7(3) . .
O66 K5 O63 89.6(3) . .
O58 K5 O63 114.2(4) 2_775 .
O16 K5 O63 142.9(3) 2_665 .
O5 K5 O63 88.3(3) 2_775 .
O11 K5 O63 64.9(3) . .
O65 K5 K1 159.19(18) . 2_775
O66 K5 K1 100.6(2) . 2_775
O58 K5 K1 36.6(2) 2_775 2_775
O16 K5 K1 91.02(17) 2_665 2_775
O5 K5 K1 49.06(14) 2_775 2_775
O11 K5 K1 97.89(19) . 2_775
O63 K5 K1 125.5(3) . 2_775
O97 K6 O1 88.9(8) . 1_655
O97 K6 O90 35.7(9) . 1_655
O1 K6 O90 95.1(4) 1_655 1_655
O97 K6 O19 114.2(8) . 2_776
O1 K6 O19 86.9(2) 1_655 2_776
O90 K6 O19 149.5(4) 1_655 2_776
O97 K6 O98 150.3(8) . 1_655
O1 K6 O98 61.4(3) 1_655 1_655
O90 K6 O98 139.1(5) 1_655 1_655
O19 K6 O98 67.4(3) 2_776 1_655
O97 K6 O26 71.3(7) . .
O1 K6 O26 137.4(3) 1_655 .
O90 K6 O26 90.0(4) 1_655 .
O19 K6 O26 69.0(2) 2_776 .
O98 K6 O26 130.4(3) 1_655 .
O97 K6 O38 66.4(8) . 2_776
O1 K6 O38 57.4(2) 1_655 2_776
O90 K6 O38 99.2(4) 1_655 2_776
O19 K6 O38 56.7(2) 2_776 2_776
O98 K6 O38 94.9(4) 1_655 2_776
O26 K6 O38 80.1(2) . 2_776
O97 K6 S7 127.1(7) . .
O1 K6 S7 141.3(2) 1_655 .
O90 K6 S7 122.1(4) 1_655 .
O19 K6 S7 66.97(16) 2_776 .
O98 K6 S7 81.7(3) 1_655 .
O26 K6 S7 59.97(14) . .
O38 K6 S7 119.58(19) 2_776 .
O97 K6 Mo19 93.1(8) . 2_776
O1 K6 Mo19 76.28(18) 1_655 2_776
O90 K6 Mo19 128.8(4) 1_655 2_776
O19 K6 Mo19 23.11(13) 2_776 2_776
O98 K6 Mo19 80.6(3) 1_655 2_776
O26 K6 Mo19 67.97(17) . 2_776
O38 K6 Mo19 34.03(13) 2_776 2_776
S7 K6 Mo19 86.94(11) . 2_776
O97 K6 K7 139.4(9) . 1_655
O1 K6 K7 99.7(2) 1_655 1_655
O90 K6 K7 103.7(4) 1_655 1_655
O19 K6 K7 105.9(3) 2_776 1_655
O98 K6 K7 54.2(4) 1_655 1_655
O26 K6 K7 120.1(2) . 1_655
O38 K6 K7 149.0(3) 2_776 1_655
S7 K6 K7 63.64(18) . 1_655
Mo19 K6 K7 127.5(2) 2_776 1_655
O97 K6 K1 5.1(7) . .
O1 K6 K1 93.99(18) 1_655 .
O90 K6 K1 35.8(4) 1_655 .
O19 K6 K1 113.7(2) 2_776 .
O98 K6 K1 155.4(3) 1_655 .
O26 K6 K1 66.89(16) . .
O38 K6 K1 68.90(16) 2_776 .
S7 K6 K1 122.08(14) . .
Mo19 K6 K1 93.67(11) 2_776 .
K7 K6 K1 138.6(2) 1_655 .
O97 K6 K4 135.3(8) . .
O1 K6 K4 102.4(2) 1_655 .
O90 K6 K4 160.7(3) 1_655 .
O19 K6 K4 26.88(14) 2_776 .
O98 K6 K4 58.9(3) 1_655 .
O26 K6 K4 71.54(16) . .
O38 K6 K4 83.59(16) 2_776 .
S7 K6 K4 43.48(8) . .
Mo19 K6 K4 49.90(6) 2_776 .
K7 K6 K4 81.66(19) 1_655 .
K1 K6 K4 133.05(11) . .
O95' K6' O97 90.2(10) 1_655 .
O98' K6' O97 120.6(10) 1_655 .
O97 K6' O14 90.3(7) . 1_655
O97 K6' O1 67.7(6) . 1_655
O14 K6' O1 77.0(4) 1_655 1_655
O97 K6' O90' 51.6(6) . 1_655
O14 K6' O90' 58.6(5) 1_655 1_655
O1 K6' O90' 99.7(6) 1_655 1_655
O97 K6' O34 138.4(7) . 1_655
O14 K6' O34 53.5(3) 1_655 1_655
O1 K6' O34 83.1(4) 1_655 1_655
O95' K6' S7 78.4(8) 1_655 .
O98' K6' S7 103.7(8) 1_655 .
O97 K6' S7 95.0(6) . .
O14 K6' S7 143.0(6) 1_655 .
O1 K6' S7 138.3(6) 1_655 .
O90' K6' S7 97.3(5) 1_655 .
O34 K6' S7 125.9(5) 1_655 .
O97 K6' O19 75.6(6) . 2_776
O14 K6' O19 152.9(6) 1_655 2_776
O1 K6' O19 76.2(4) 1_655 2_776
O34 K6' O19 126.6(6) 1_655 2_776
S7 K6' O19 62.6(3) . 2_776
O97 K6' Mo14 107.9(6) . 1_655
O14 K6' Mo14 20.9(2) 1_655 1_655
O1 K6' Mo14 74.6(3) 1_655 1_655
O34 K6' Mo14 33.01(19) 1_655 1_655
S7 K6' Mo14 146.3(5) . 1_655
O19 K6' Mo14 146.3(5) 2_776 1_655
O95' K6' K4 121.0(8) 1_655 .
O98' K6' K4 62.1(7) 1_655 .
O97 K6' K4 103.5(6) . .
O14 K6' K4 164.5(6) 1_655 .
O1 K6' K4 101.4(5) 1_655 .
O90' K6' K4 136.1(5) 1_655 .
O34 K6' K4 111.1(4) 1_655 .
S7 K6' K4 43.9(2) . .
O19 K6' K4 32.25(19) 2_776 .
Mo14 K6' K4 143.6(4) 1_655 .
O79 K7 O95 131.4(7) 1_455 .
O79 K7 O34 112.7(5) 1_455 .
O95 K7 O34 101.3(6) . .
O79 K7 O94 84.6(6) 1_455 1_455
O95 K7 O94 110.5(8) . 1_455
O34 K7 O94 116.6(6) . 1_455
O79 K7 O104 112.2(9) 1_455 1_455
O95 K7 O104 71.0(10) . 1_455
O34 K7 O104 123.9(9) . 1_455
O94 K7 O104 39.5(10) 1_455 1_455
O79 K7 S14 154.4(5) 1_455 .
O95 K7 S14 73.9(5) . .
O34 K7 S14 56.6(3) . .
O94 K7 S14 81.5(5) 1_455 .
O104 K7 S14 68.3(8) 1_455 .
O79 K7 Mo14 143.6(5) 1_455 .
O95 K7 Mo14 72.3(5) . .
O34 K7 Mo14 31.8(2) . .
O94 K7 Mo14 115.4(5) 1_455 .
O104 K7 Mo14 101.3(9) 1_455 .
S14 K7 Mo14 35.40(13) . .
O79 K7 K6 94.3(4) 1_455 1_455
O95 K7 K6 62.1(6) . 1_455
O34 K7 K6 74.3(3) . 1_455
O94 K7 K6 168.6(6) 1_455 1_455
O104 K7 K6 132.6(10) 1_455 1_455
S14 K7 K6 103.5(3) . 1_455
Mo14 K7 K6 71.7(2) . 1_455
O24 K8 O67 95.3(3) . .
O24 K8 O57 85.0(3) . 2_786
O67 K8 O57 91.7(3) . 2_786
O24 K8 O70 129.4(3) . .
O67 K8 O70 118.8(4) . .
O57 K8 O70 126.2(3) 2_786 .
O24 K8 S3 62.4(2) . .
O67 K8 S3 156.2(3) . .
O57 K8 S3 78.8(2) 2_786 .
O70 K8 S3 83.8(2) . .
O24 K8 S5 56.75(19) . .
O67 K8 S5 73.3(2) . .
O57 K8 S5 136.1(3) 2_786 .
O70 K8 S5 96.4(3) . .
S3 K8 S5 98.38(17) . .
O24 K8 Mo4 27.77(15) . .
O67 K8 Mo4 121.5(3) . .
O57 K8 Mo4 76.6(2) 2_786 .
O70 K8 Mo4 113.6(2) . .
S3 K8 Mo4 35.21(8) . .
S5 K8 Mo4 77.04(13) . .
O24 K8 K2 119.6(3) . 1_665
O67 K8 K2 37.62(18) . 1_665
O57 K8 K2 67.77(19) 2_786 1_665
O70 K8 K2 109.6(3) . 1_665
S3 K8 K2 145.7(2) . 1_665
S5 K8 K2 110.71(17) . 1_665
Mo4 K8 K2 134.9(2) . 1_665
O24 K8 K9 58.4(2) . 1_665
O67 K8 K9 75.1(2) . 1_665
O57 K8 K9 33.9(2) 2_786 1_665
O70 K8 K9 159.4(3) . 1_665
S3 K8 K9 85.36(18) . 1_665
S5 K8 K9 102.49(19) . 1_665
Mo4 K8 K9 63.69(14) . 1_665
K2 K8 K9 71.32(14) 1_665 1_665
O36 K9 O57 115.8(3) . 2_676
O36 K9 O76 119.0(3) . .
O57 K9 O76 98.8(3) 2_676 .
O36 K9 O66 84.0(3) . 2_665
O57 K9 O66 117.9(3) 2_676 2_665
O76 K9 O66 122.8(4) . 2_665
O36 K9 S15 59.02(19) . .
O57 K9 S15 168.2(3) 2_676 .
O76 K9 S15 76.8(3) . .
O66 K9 S15 73.1(2) 2_665 .
O36 K9 S17 55.83(18) . .
O57 K9 S17 80.1(2) 2_676 .
O76 K9 S17 85.9(2) . .
O66 K9 S17 139.4(3) 2_665 .
S15 K9 S17 88.68(16) . .
O36 K9 K8 97.6(3) . 1_445
O57 K9 K8 32.88(19) 2_676 1_445
O76 K9 K8 131.1(3) . 1_445
O66 K9 K8 90.2(2) 2_665 1_445
S15 K9 K8 151.9(2) . 1_445
S17 K9 K8 89.86(18) . 1_445
Mo1 O1 K6 138.8(4) . 1_455
Mo1 O1 K6' 130.1(5) . 1_455
K6 O1 K6' 27.4(3) 1_455 1_455
Mo2 O2 K2 106.0(3) . 2_676
Mo2 O2 K1 142.5(4) . 1_455
K2 O2 K1 85.32(18) 2_676 1_455
Mo5 O5 K5 154.3(4) . 2_775
Mo5 O5 K1 115.2(3) . .
K5 O5 K1 89.85(17) 2_775 .
Mo6 O6 K1 117.3(3) . .
Mo7 O7 K4 110.7(3) . .
Mo8 O8 K3 124.2(3) . .
Mo8 O8 K4 109.4(3) . .
K3 O8 K4 93.8(2) . .
Mo11 O11 K5 143.6(4) . .
Mo14 O14 K6' 122.2(5) . 1_455
Mo16 O16 K5 139.5(3) . 2_665
Mo17 O17 K2 144.0(3) . 2_666
Mo17 O17 K2 113.3(3) . .
K2 O17 K2 96.6(2) 2_666 .
Mo18 O18 K1 150.6(3) . 2_776
Mo18 O18 K2 111.3(3) . .
K1 O18 K2 88.09(18) 2_776 .
Mo19 O19 K4 118.2(3) . 2_776
Mo19 O19 K6 116.0(3) . 2_776
K4 O19 K6 125.5(3) 2_776 2_776
Mo19 O19 K6' 133.1(4) . 2_776
K4 O19 K6' 107.7(3) 2_776 2_776
K6 O19 K6' 23.4(3) 2_776 2_776
Mo20 O20 K4 112.0(3) . 2_776
Mo3 O21 Mo2 97.8(3) . .
Mo2 O22 Mo3 97.7(3) . .
Mo2 O22 K2 95.0(2) . 2_676
Mo3 O22 K2 124.9(3) . 2_676
Mo4 O23 Mo5 98.6(3) . .
Mo4 O24 Mo5 99.3(3) . .
Mo4 O24 K8 116.5(3) . .
Mo5 O24 K8 126.3(3) . .
Mo6 O25 Mo7 97.5(3) . .
Mo6 O26 Mo7 97.5(2) . .
Mo6 O26 K6 124.4(3) . .
Mo7 O26 K6 113.9(3) . .
Mo8 O27 Mo9 110.4(3) . .
Mo8 O28 Mo9 108.7(3) . .
Mo11 O29 Mo10 98.1(3) . .
Mo11 O30 Mo10 97.2(3) . .
Mo12 O31 Mo13 97.4(3) . .
Mo12 O32 Mo13 97.7(3) . .
Mo15 O33 Mo14 107.4(2) . .
Mo15 O34 Mo14 109.5(3) . .
Mo15 O34 K7 121.7(3) . .
Mo14 O34 K7 106.0(4) . .
Mo15 O34 K6' 154.3(4) . 1_455
Mo14 O34 K6' 91.9(4) . 1_455
K7 O34 K6' 61.9(4) . 1_455
Mo17 O35 Mo16 98.2(2) . .
Mo17 O36 Mo16 99.1(2) . .
Mo17 O36 K9 125.1(3) . .
Mo16 O36 K9 118.9(3) . .
Mo19 O37 Mo18 95.7(2) . .
Mo18 O38 Mo19 95.3(2) . .
Mo18 O38 K6 134.3(3) . 2_776
Mo19 O38 K6 92.9(2) . 2_776
Te1 O39 Mo2 127.2(3) . .
Te1 O39 Mo3 121.9(3) . .
Mo2 O39 Mo3 89.9(2) . .
Te1 O40 Mo5 131.4(3) . .
Te1 O40 Mo4 116.8(3) . .
Mo5 O40 Mo4 89.2(2) . .
Te1 O41 Te2 126.3(3) . .
Te2 O42 Mo7 131.5(3) . .
Te2 O42 Mo6 124.3(3) . .
Mo7 O42 Mo6 91.6(2) . .
Te2 O43 Mo20 123.9(3) . .
Te3 O45 Mo10 133.1(4) . .
Te3 O45 Mo11 118.8(3) . .
Mo10 O45 Mo11 89.6(2) . .
Te3 O46 Mo13 134.6(3) . .
Te3 O46 Mo12 121.5(3) . .
Mo13 O46 Mo12 90.6(2) . .
Te4 O48 Mo1 105.8(3) . .
Te4 O48 Mo14 117.9(3) . .
Mo1 O48 Mo14 135.6(3) . .
Te4 O49 Mo1 106.2(3) . .
Te4 O49 Mo20 106.2(3) . .
Mo1 O49 Mo20 146.3(3) . .
Te4 O50 Mo15 113.6(3) . .
Te4 O50 Te5 104.3(3) . .
Mo15 O50 Te5 129.3(3) . .
Te5 O51 Mo16 132.4(3) . .
Te5 O51 Mo17 121.2(3) . .
Mo16 O51 Mo17 89.8(2) . .
Te5 O51 K3 90.9(2) . .
Mo16 O51 K3 115.1(2) . .
Mo17 O51 K3 107.1(2) . .
Te5 O52 Mo19 124.1(3) . .
Te5 O52 Mo18 129.0(3) . .
Mo19 O52 Mo18 95.0(2) . .
Te5 O52 K3 84.0(2) . .
Mo19 O52 K3 113.3(2) . .
Mo18 O52 K3 111.4(2) . .
Te5 O53 Te4 107.3(3) . .
Te5 O53 Mo20 113.9(3) . .
Te4 O53 Mo20 99.0(2) . .
Te5 O53 K3 102.9(2) . .
Te4 O53 K3 112.6(2) . .
Mo20 O53 K3 120.9(2) . .
K2 O55 K1 92.5(2) 2_776 .
K8 O57 K9 113.3(3) 2_786 2_676
K1 O58 K5 104.3(4) . 2_775
K4 O60 K3 103.6(3) . .
K5 O66 K9 128.4(3) . 2_665
K8 O67 K2 105.4(3) . 1_665
K9 O76 K4 120.5(3) . 1_455
O97 O90 K6 32.6(8) 1_455 1_455
O97 O90 K1 78.4(9) 1_455 1_455
K6 O90 K1 110.7(6) 1_455 1_455
K6 O97 O90 111.7(13) . 1_655
K6 O97 K1 172.2(11) . .
O90 O97 K1 68.2(9) 1_655 .
K6' O97 K1 165.2(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O1 1.687(6) .
Mo1 O49 2.037(6) .
Mo1 O48 2.058(6) .
Mo1 S2 2.306(3) .
Mo1 S1 2.320(2) .
Mo1 Mo2 2.8440(11) .
Mo1 Te4 3.2146(10) .
Mo2 O2 1.692(6) .
Mo2 O22 2.115(6) .
Mo2 O21 2.145(7) .
Mo2 O39 2.247(6) .
Mo2 S1 2.318(3) .
Mo2 S2 2.322(2) .
Mo2 Mo3 3.1964(11) .
Mo2 K2 3.743(2) 2_676
Mo3 O3 1.677(7) .
Mo3 O21 2.098(6) .
Mo3 O22 2.129(7) .
Mo3 O39 2.276(6) .
Mo3 S4 2.328(3) .
Mo3 S3 2.337(2) .
Mo3 Mo4 2.8477(11) .
Mo4 O4 1.692(7) .
Mo4 O23 2.096(7) .
Mo4 O24 2.104(6) .
Mo4 S4 2.322(2) .
Mo4 S3 2.331(3) .
Mo4 O40 2.371(6) .
Mo4 Mo5 3.2112(11) .
Mo4 K8 4.042(7) .
Mo5 O5 1.689(6) .
Mo5 O24 2.109(6) .
Mo5 O23 2.141(7) .
Mo5 O40 2.201(6) .
Mo5 S5 2.332(3) .
Mo5 S6 2.338(2) .
Mo5 Mo6 2.8247(12) .
Mo6 O6 1.689(6) .
Mo6 O25 2.078(6) .
Mo6 O26 2.134(7) .
Mo6 O42 2.311(6) .
Mo6 S6 2.334(3) .
Mo6 S5 2.344(2) .
Mo6 K1 4.001(2) .
Mo7 O7 1.687(7) .
Mo7 O26 2.163(6) .
Mo7 O42 2.191(6) .
Mo7 O25 2.217(7) .
Mo7 S8 2.297(2) .
Mo7 S7 2.328(2) .
Mo7 Mo8 2.8255(11) .
Mo7 K4 4.079(3) .
Mo8 O8 1.687(7) .
Mo8 O28 2.023(6) .
Mo8 O27 2.041(6) .
Mo8 S7 2.305(2) .
Mo8 S8 2.318(2) .
Mo8 K4 3.940(3) .
Mo8 K3 3.952(2) .
Mo9 O9 1.685(7) .
Mo9 O27 2.119(6) .
Mo9 O28 2.179(7) .
Mo9 O54 2.249(7) .
Mo9 S10 2.313(3) .
Mo9 S9 2.315(3) .
Mo9 Mo10 2.8076(14) .
Mo10 O10 1.676(7) .
Mo10 O29 2.118(8) .
Mo10 O30 2.143(7) .
Mo10 O45 2.258(6) .
Mo10 S9 2.319(3) .
Mo10 S10 2.324(3) .
Mo10 Mo11 3.1979(14) .
Mo11 O11 1.671(8) .
Mo11 O29 2.116(7) .
Mo11 O30 2.120(7) .
Mo11 O45 2.281(7) .
Mo11 S11 2.320(3) .
Mo11 S12 2.340(3) .
Mo11 Mo12 2.8280(13) .
Mo12 O12 1.682(8) .
Mo12 O32 2.102(7) .
Mo12 O31 2.109(7) .
Mo12 O46 2.282(7) .
Mo12 S11 2.325(3) .
Mo12 S12 2.342(3) .
Mo12 Mo13 3.1955(13) .
Mo13 O13 1.688(7) .
Mo13 O32 2.142(7) .
Mo13 O31 2.145(7) .
Mo13 O46 2.215(6) .
Mo13 S14 2.308(3) .
Mo13 S13 2.329(3) .
Mo13 Mo14 2.8177(13) .
Mo14 O14 1.685(7) .
Mo14 O34 2.177(6) .
Mo14 O48 2.181(6) .
Mo14 O33 2.207(6) .
Mo14 S14 2.309(3) .
Mo14 S13 2.319(2) .
Mo14 K7 3.975(12) .
Mo14 K6' 3.993(16) 1_455
Mo15 O15 1.684(7) .
Mo15 O34 2.106(6) .
Mo15 O33 2.133(6) .
Mo15 O50 2.269(6) .
Mo15 S15 2.312(2) .
Mo15 S16 2.346(2) .
Mo15 Mo16 2.8485(12) .
Mo16 O16 1.687(6) .
Mo16 O36 2.120(7) .
Mo16 O35 2.150(6) .
Mo16 O51 2.271(6) .
Mo16 S15 2.314(2) .
Mo16 S16 2.351(2) .
Mo16 Mo17 3.2191(12) .
Mo17 O17 1.694(6) .
Mo17 O35 2.109(6) .
Mo17 O36 2.110(6) .
Mo17 O51 2.290(7) .
Mo17 S18 2.330(2) .
Mo17 S17 2.339(2) .
Mo17 Mo18 2.8409(11) .
Mo17 K2 3.891(2) .
Mo18 O18 1.682(6) .
Mo18 O38 2.121(6) .
Mo18 O37 2.141(6) .
Mo18 O52 2.159(6) .
Mo18 S18 2.336(2) .
Mo18 S17 2.344(2) .
Mo18 Mo19 3.1719(11) .
Mo18 K2 3.950(2) .
Mo19 O19 1.692(7) .
Mo19 O37 2.137(6) .
Mo19 O52 2.143(6) .
Mo19 O38 2.170(6) .
Mo19 S20 2.326(2) .
Mo19 S19 2.365(2) .
Mo19 Mo20 2.8661(12) .
Mo19 K4 3.847(2) 2_776
Mo19 K6 3.874(5) 2_776
Mo20 O20 1.681(6) .
Mo20 O43 2.094(6) .
Mo20 O49 2.216(6) .
Mo20 O53 2.261(6) .
Mo20 S20 2.298(2) .
Mo20 S19 2.344(2) .
Mo20 K4 4.027(2) 2_776
Te1 O41 1.872(6) .
Te1 O39 1.899(6) .
Te1 O40 1.902(6) .
Te2 O43 1.872(6) .
Te2 O42 1.876(6) .
Te2 O44 2.017(6) .
Te2 O41 2.220(6) .
Te3 O47 1.835(6) .
Te3 O45 1.893(6) .
Te3 O46 1.894(6) .
Te4 O50 1.924(6) .
Te4 O48 1.972(6) .
Te4 O49 1.982(6) .
Te4 O53 2.159(6) .
Te4 K3 4.112(2) .
Te5 O51 1.875(6) .
Te5 O52 1.934(6) .
Te5 O53 1.956(5) .
Te5 O50 2.270(7) .
Te5 K3 3.728(2) .
S3 K8 3.364(7) .
S5 K1 3.599(3) .
S5 K8 3.651(7) .
S7 K6' 3.288(15) .
S7 K6 3.348(5) .
S7 K4 3.414(4) .
S8 K3 3.725(4) .
S14 K7 3.417(13) .
S15 K9 3.292(8) .
S16 K3 3.550(3) .
S17 K2 3.313(3) .
S17 K9 3.622(7) .
S18 K3 3.329(3) .
S20 K3 3.605(3) .
S20 K4 3.643(3) 2_776
K1 O58 2.659(11) .
K1 O18 2.786(7) 2_776
K1 O55 2.819(7) .
K1 O56 2.864(8) .
K1 O90 2.931(16) 1_655
K1 O6 2.934(6) .
K1 O2 3.050(7) 1_655
K1 O97 3.09(2) .
K1 O5 3.268(7) .
K1 K2 4.037(3) 2_776
K2 O67 2.734(7) 1_445
K2 O17 2.749(7) 2_666
K2 O55 2.770(8) 2_776
K2 O17 2.897(7) .
K2 O2 2.905(7) 2_676
K2 O22 2.908(6) 2_676
K2 O18 3.016(6) .
K3 O60 2.707(7) .
K3 O8 2.750(7) .
K3 O53 2.768(6) .
K3 O59 2.809(7) .
K3 O51 3.192(6) .
K3 O52 3.396(6) .
K4 O60 2.682(7) .
K4 O19 2.747(7) 2_776
K4 O62 2.751(8) .
K4 O76 2.952(8) 1_655
K4 O8 3.043(7) .
K4 O20 3.085(7) 2_776
K4 O7 3.164(7) .
K5 O65 2.764(9) .
K5 O66 2.815(8) .
K5 O58 2.817(12) 2_775
K5 O16 2.824(7) 2_665
K5 O5 2.843(7) 2_775
K5 O11 2.847(8) .
K5 O63 2.869(12) .
K6 O97 1.60(2) .
K6 O1 2.757(7) 1_655
K6 O90 2.765(18) 1_655
K6 O19 2.820(9) 2_776
K6 O98 2.827(16) 1_655
K6 O26 2.919(7) .
K6 O38 3.101(8) 2_776
K6 K7 4.375(13) 1_655
K6' O95' 2.40(4) 1_655
K6' O98' 2.57(4) 1_655
K6' O97 2.80(3) .
K6' O14 2.832(17) 1_655
K6' O1 2.875(17) 1_655
K6' O90' 3.20(3) 1_655
K6' O34 3.274(17) 1_655
K6' O19 3.317(18) 2_776
K7 O79 2.658(16) 1_455
K7 O95 2.74(3) .
K7 O34 2.780(13) .
K7 O94 2.85(2) 1_455
K7 O104 2.88(5) 1_455
K8 O24 2.639(10) .
K8 O67 2.696(9) .
K8 O57 2.746(10) 2_786
K8 O70 2.784(11) .
K8 K9 4.647(11) 1_665
K9 O36 2.755(9) .
K9 O57 2.818(10) 2_676
K9 O76 2.881(11) .
K9 O66 2.901(11) 2_665
O79 O89 1.353(19) 1_655
O90 O97 1.74(3) 1_455
O96" O104 1.22(6) 1_455
O99 O100 1.26(3) .
O102 O102 1.50(7) 2_765
