# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cs8In5Mo24Na25O96
_database_code_depnum_ccdc_archive 'CCDC 1521742'
_audit_update_record             
;
2016-12-09 deposited with the CCDC.
2017-05-15 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'In5 Mo24 O96, 8(Cs), 25(Na)'
_chemical_formula_sum            'Cs8 In5 Mo24 Na25 O96'
_chemical_formula_weight         6050.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.0062(2)
_cell_length_b                   12.6032(2)
_cell_length_c                   28.7138(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.0010(10)
_cell_angle_gamma                90.00
_cell_volume                     5068.64(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    48032
_cell_measurement_theta_min      1.42
_cell_measurement_theta_max      27.57

_exptl_crystal_description       disk
_exptl_crystal_colour            light-yellow
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.965
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5472
_exptl_crystal_F_000'            5379.91
_exptl_absorpt_coefficient_mu    7.024
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.663
_exptl_absorpt_correction_T_max  0.755
_exptl_absorpt_correction_T_min' 0.606
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker-Nonius X8 APEX CCD diffractometer'
_diffrn_measurement_method       'φ scans, frame data integration'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            48032
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         27.57
_reflns_number_total             11735
_reflns_number_gt                10499
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0595P)²+56.1908P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11144
_refine_ls_number_parameters     728
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0356
_refine_ls_wR_factor_ref         0.1093
_refine_ls_wR_factor_gt          0.1067
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.48585(6) 0.98003(5) 0.43257(3) 0.02651(16) Uani 1 1 d . . .
Cs2 Cs 0.50778(7) 0.95067(6) 0.28367(3) 0.0395(2) Uani 1 1 d . . .
Cs3 Cs 0.00906(6) 0.94734(6) 0.21424(3) 0.03186(19) Uani 1 1 d . . .
Cs4 Cs 0.00767(8) 0.46875(7) 0.43325(4) 0.0442(2) Uani 1 1 d . . .
Mo1 Mo 0.60400(7) 0.18251(7) 0.22064(3) 0.01539(18) Uani 1 1 d . . .
Mo2 Mo 0.10938(7) 0.17870(6) 0.27938(3) 0.01318(18) Uani 1 1 d . . .
Mo3 Mo 0.61379(6) 0.24036(7) 0.47162(3) 0.01349(17) Uani 1 1 d . . .
Mo4 Mo 0.39066(7) 0.19681(7) 0.34723(3) 0.01405(18) Uani 1 1 d . . .
Mo5 Mo 0.61259(7) 0.72738(7) 0.39640(3) 0.01341(18) Uani 1 1 d . . .
Mo6 Mo 0.10483(6) 0.26558(7) 0.52783(3) 0.01486(18) Uani 1 1 d . . .
Mo7 Mo 0.88315(7) 0.21756(7) 0.39833(3) 0.01520(18) Uani 1 1 d . . .
Mo8 Mo 0.11013(7) 0.69155(7) 0.35032(3) 0.01364(18) Uani 1 1 d . . .
Mo9 Mo 0.28648(6) 0.56513(7) 0.68379(3) 0.01309(17) Uani 1 1 d . . .
Mo10 Mo 0.28655(6) 0.48105(7) 0.44219(3) 0.01347(17) Uani 1 1 d . . .
Mo11 Mo 0.21896(7) 0.43204(7) 0.18606(3) 0.01660(19) Uani 1 1 d . . .
Mo12 Mo 0.79118(6) 0.47094(6) 0.05676(3) 0.01230(17) Uani 1 1 d . . .
In1 In 0.83903(5) 0.29078(5) 0.52070(2) 0.00912(16) Uani 0.8972(17) 1 d P . .
Na1 Na 0.83903(5) 0.29078(5) 0.52070(2) 0.00912(16) Uani 0.10 1 d P . .
In2 In 0.65712(7) 0.16977(7) 0.34913(3) 0.0101(3) Uani 0.644(3) 1 d P . .
Na2 Na 0.65712(7) 0.16977(7) 0.34913(3) 0.0101(3) Uani 0.36 1 d P . .
In3 In 0.33192(8) 0.19461(8) 0.22819(4) 0.0084(3) Uani 0.491(3) 1 d P . .
Na3 Na 0.33192(8) 0.19461(8) 0.22819(4) 0.0084(3) Uani 0.51 1 d P . .
In4 In 0.15964(11) 0.17153(10) 0.14946(5) 0.0089(4) Uani 0.380(3) 1 d P . .
Na4 Na 0.15964(11) 0.17153(10) 0.14946(5) 0.0089(4) Uani 0.62 1 d P . .
In5 In 0.8315(3) 0.1979(3) 0.26799(13) 0.0135(12) Uani 0.020(3) 1 d P . .
Na5 Na 0.8315(3) 0.1979(3) 0.26799(13) 0.0135(12) Uani 0.98 1 d P . .
In6 In 0.3373(3) 0.2114(2) 0.47994(11) 0.0189(10) Uani 0.069(3) 1 d P . .
Na6 Na 0.3373(3) 0.2114(2) 0.47994(11) 0.0189(10) Uani 0.93 1 d P . .
Na7 Na 0.1588(3) 0.2396(3) 0.39496(15) 0.0170(8) Uani 1 1 d . . .
Na8 Na 0.3410(3) 0.7419(3) 0.39419(15) 0.0173(8) Uani 1 1 d . . .
Na9 Na 0.7619(3) 0.9710(4) 0.43425(18) 0.0295(11) Uani 1 1 d . . .
Na10 Na 0.7363(4) 0.4921(5) 0.43827(18) 0.0336(12) Uani 1 1 d . . .
Na11 Na 0.0028(4) 0.9684(4) 0.36662(19) 0.0344(12) Uani 1 1 d . . .
Na12 Na 0.2327(3) 0.9372(4) 0.31381(17) 0.0229(10) Uani 1 1 d . . .
Na13 Na 0.5030(4) 0.9739(4) 0.1301(2) 0.0393(13) Uani 1 1 d . . .
Na14 Na 0.2661(3) 0.4418(4) 0.31488(17) 0.0218(9) Uani 1 1 d . . .
Na15 Na -0.0072(12) 0.0160(12) 0.4887(4) 0.039(4) Uani 0.50 1 d P . .
Na16 Na 0.5043(10) 0.5187(9) 0.4893(4) 0.033(3) Uani 0.50 1 d P . .
O1 O 0.5988(6) 0.0654(6) 0.1872(3) 0.0276(18) Uani 1 1 d . . .
O2 O 0.6606(6) 0.2829(6) 0.1906(3) 0.0232(16) Uani 1 1 d . . .
O3 O 0.6667(7) 0.1539(6) 0.2731(3) 0.0258(17) Uani 1 1 d . . .
O4 O 0.4882(6) 0.2230(6) 0.2363(3) 0.0272(18) Uani 1 1 d . . .
O5 O -0.0050(6) 0.2151(6) 0.2619(3) 0.0230(16) Uani 1 1 d . . .
O6 O 0.1573(6) 0.2855(6) 0.3114(3) 0.0199(15) Uani 1 1 d . . .
O7 O 0.1026(6) 0.0643(6) 0.3129(3) 0.0282(19) Uani 1 1 d . . .
O8 O 0.1765(6) 0.1513(6) 0.2267(3) 0.0197(16) Uani 1 1 d . . .
O9 O 0.5975(6) 0.3724(6) 0.4542(3) 0.0273(19) Uani 1 1 d . . .
O10 O 0.5048(6) 0.1867(6) 0.4872(3) 0.0246(17) Uani 1 1 d . . .
O11 O 0.6617(6) 0.1592(6) 0.4260(3) 0.0235(16) Uani 1 1 d . . .
O12 O 0.6899(5) 0.2349(6) 0.5214(3) 0.0214(16) Uani 1 1 d . . .
O13 O 0.3278(6) 0.1793(6) 0.3993(3) 0.0279(19) Uani 1 1 d . . .
O14 O 0.4006(6) 0.3331(7) 0.3355(3) 0.032(2) Uani 1 1 d . . .
O15 O 0.3279(6) 0.1299(7) 0.3019(3) 0.032(2) Uani 1 1 d . . .
O16 O 0.5047(6) 0.1360(6) 0.3532(2) 0.0200(16) Uani 1 1 d . . .
O17 O 0.5009(5) 0.7772(6) 0.3809(3) 0.0247(17) Uani 1 1 d . . .
O18 O 0.5982(6) 0.5963(6) 0.4155(3) 0.0253(18) Uani 1 1 d . . .
O19 O 0.6607(6) 0.8110(5) 0.4388(2) 0.0182(15) Uani 1 1 d . . .
O20 O 0.6874(6) 0.7303(6) 0.3463(3) 0.0229(17) Uani 1 1 d . . .
O21 O 0.1672(6) 0.2747(6) 0.4761(3) 0.0272(18) Uani 1 1 d . . .
O22 O 0.0955(7) 0.1333(6) 0.5444(3) 0.0299(19) Uani 1 1 d . . .
O23 O 0.1641(6) 0.3411(7) 0.5700(3) 0.0259(17) Uani 1 1 d . . .
O24 O -0.0113(5) 0.3211(6) 0.5187(3) 0.0246(17) Uani 1 1 d . . .
O25 O 0.9935(5) 0.2670(7) 0.3826(3) 0.0275(18) Uani 1 1 d . . .
O26 O 0.8958(7) 0.0828(6) 0.4143(3) 0.030(2) Uani 1 1 d . . .
O27 O 0.8068(6) 0.2281(6) 0.3487(3) 0.0215(17) Uani 1 1 d . . .
O28 O 0.8375(6) 0.2952(6) 0.4455(2) 0.0237(16) Uani 1 1 d . . .
O29 O 0.1001(6) 0.8227(6) 0.3331(3) 0.0258(18) Uani 1 1 d . . .
O30 O 0.1730(6) 0.6154(6) 0.3090(3) 0.0269(18) Uani 1 1 d . . .
O31 O -0.0041(6) 0.6330(6) 0.3570(3) 0.0285(19) Uani 1 1 d . . .
O32 O 0.1717(7) 0.6840(6) 0.4043(2) 0.0239(18) Uani 1 1 d . . .
O33 O 0.2231(6) 0.6178(6) 0.7306(3) 0.0244(17) Uani 1 1 d . . .
O34 O 0.3644(6) 0.4678(6) 0.7051(3) 0.0261(18) Uani 1 1 d . . .
O35 O 0.2085(6) 0.5075(7) 0.6433(3) 0.0284(18) Uani 1 1 d . . .
O36 O 0.3651(6) 0.6580(6) 0.6563(3) 0.0224(17) Uani 1 1 d . . .
O37 O 0.3545(6) 0.3931(6) 0.4746(3) 0.0280(19) Uani 1 1 d . . .
O38 O 0.3706(6) 0.5680(6) 0.4182(3) 0.0279(19) Uani 1 1 d . . .
O39 O 0.2236(6) 0.4204(6) 0.3975(2) 0.0188(16) Uani 1 1 d . . .
O40 O 0.2056(6) 0.5466(5) 0.4829(3) 0.0178(15) Uani 1 1 d . . .
O41 O 0.1415(9) 0.5233(7) 0.2094(4) 0.058(4) Uani 1 1 d . . .
O42 O 0.1417(7) 0.3503(7) 0.1547(3) 0.033(2) Uani 1 1 d . . .
O43 O 0.3009(6) 0.4964(6) 0.1475(3) 0.0220(16) Uani 1 1 d . . .
O44 O 0.2827(7) 0.3696(6) 0.2324(3) 0.0276(19) Uani 1 1 d . . .
O45 O 0.8721(6) 0.5628(6) 0.0770(3) 0.0261(18) Uani 1 1 d . . .
O46 O 0.7234(6) 0.4192(6) 0.1035(3) 0.0235(17) Uani 1 1 d . . .
O47 O 0.7127(6) 0.5289(6) 0.0155(3) 0.0202(16) Uani 1 1 d . . .
O48 O 0.8676(6) 0.3748(6) 0.0286(3) 0.0208(16) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 O17 2.964(8) . ?
Cs1 O16 3.022(7) 1_565 ?
Cs1 O10 3.053(8) 1_565 ?
Cs1 O10 3.121(8) 3_666 ?
Cs1 O46 3.201(9) 2_655 ?
Cs1 O47 3.215(8) 2_655 ?
Cs1 O19 3.251(8) . ?
Cs1 O11 3.347(8) 1_565 ?
Cs1 O13 3.482(9) 1_565 ?
Cs1 O43 3.775(8) 2_655 ?
Cs2 O4 2.927(8) 2_655 ?
Cs2 O16 3.072(7) 1_565 ?
Cs2 O44 3.142(9) 2_655 ?
Cs2 O34 3.190(9) 4_575 ?
Cs2 O2 3.252(8) 2_655 ?
Cs2 O1 3.376(9) 1_565 ?
Cs2 O43 3.378(8) 2_655 ?
Cs2 O3 3.406(8) 1_565 ?
Cs2 O15 3.424(9) 1_565 ?
Cs2 O17 3.546(8) . ?
Cs2 O4 3.702(8) 1_565 ?
Cs3 O5 3.007(8) 2 ?
Cs3 O31 3.109(8) 2 ?
Cs3 O33 3.143(9) 4_575 ?
Cs3 O6 3.183(8) 2 ?
Cs3 O41 3.189(10) 2 ?
Cs3 O30 3.381(9) 2 ?
Cs3 O7 3.451(9) 1_565 ?
Cs3 O8 3.498(7) 1_565 ?
Cs3 O35 3.504(9) 4_575 ?
Cs3 O25 3.591(9) 2_655 ?
Cs3 O5 3.646(8) 1_565 ?
Cs4 O25 2.936(8) 1_455 ?
Cs4 O24 2.986(8) 3_566 ?
Cs4 O31 3.017(8) . ?
Cs4 O24 3.092(8) . ?
Cs4 O39 3.252(8) . ?
Cs4 O28 3.255(8) 1_455 ?
Cs4 O40 3.268(8) . ?
Cs4 O23 3.397(9) 3_566 ?
Cs4 O21 3.535(9) . ?
Cs4 O32 3.651(8) . ?
Mo1 O2 1.725(7) . ?
Mo1 O4 1.759(8) . ?
Mo1 O1 1.763(7) . ?
Mo1 O3 1.781(9) . ?
Mo2 O7 1.736(8) . ?
Mo2 O5 1.740(8) . ?
Mo2 O6 1.764(7) . ?
Mo2 O8 1.815(8) . ?
Mo3 O10 1.729(8) . ?
Mo3 O9 1.753(8) . ?
Mo3 O12 1.783(8) . ?
Mo3 O11 1.793(8) . ?
Mo4 O13 1.749(8) . ?
Mo4 O14 1.756(8) . ?
Mo4 O16 1.780(8) . ?
Mo4 O15 1.782(8) . ?
Mo5 O17 1.744(8) . ?
Mo5 O19 1.747(7) . ?
Mo5 O18 1.752(8) . ?
Mo5 O20 1.781(8) . ?
Mo6 O21 1.727(8) . ?
Mo6 O22 1.739(8) . ?
Mo6 O23 1.750(8) . ?
Mo6 O24 1.790(8) . ?
Mo7 O25 1.727(8) . ?
Mo7 O26 1.769(8) . ?
Mo7 O27 1.787(8) . ?
Mo7 O28 1.788(8) . ?
Mo8 O29 1.731(8) . ?
Mo8 O30 1.762(8) . ?
Mo8 O31 1.773(8) . ?
Mo8 O32 1.775(8) . ?
Mo9 O33 1.742(8) . ?
Mo9 O34 1.753(8) . ?
Mo9 O35 1.753(9) . ?
Mo9 O36 1.791(8) . ?
Mo10 O37 1.733(8) . ?
Mo10 O39 1.735(7) . ?
Mo10 O38 1.750(8) . ?
Mo10 O40 1.826(8) . ?
Mo11 O41 1.717(9) . ?
Mo11 O42 1.745(9) . ?
Mo11 O44 1.784(9) . ?
Mo11 O43 1.789(8) . ?
Mo12 O45 1.721(8) . ?
Mo12 O46 1.769(8) . ?
Mo12 O47 1.774(8) . ?
Mo12 O48 1.808(7) . ?
In1 O24 2.132(7) 1_655 ?
In1 O48 2.137(7) 4_566 ?
In1 O40 2.145(7) 3_666 ?
In1 O28 2.161(7) . ?
In1 O32 2.183(7) 3_666 ?
In1 O12 2.204(7) . ?
In2 O16 2.180(8) . ?
In2 O3 2.196(8) . ?
In2 O36 2.198(8) 3_666 ?
In2 O11 2.212(8) . ?
In2 O27 2.221(8) . ?
In2 O43 2.265(8) 2_645 ?
In3 O34 2.199(7) 4_565 ?
In3 O20 2.202(7) 2_645 ?
In3 O4 2.230(9) . ?
In3 O8 2.244(8) . ?
In3 O15 2.270(9) . ?
In3 O44 2.313(9) . ?
In3 In4 3.3193(19) . ?
In3 Cs2 3.9461(14) 2_645 ?
In3 Cs2 4.2492(15) 1_545 ?
In4 O31 2.240(9) 2_545 ?
In4 O8 2.244(8) . ?
In4 O20 2.270(8) 2_645 ?
In4 O42 2.272(8) . ?
In4 O23 2.288(8) 4_565 ?
In4 O35 2.364(9) 4_565 ?
In5 O5 2.307(9) 1_655 ?
In5 O41 2.325(10) 2_645 ?
In5 O27 2.374(8) . ?
In5 O3 2.379(10) . ?
In5 O30 2.442(9) 2_645 ?
In5 O33 2.446(9) 3_666 ?
In6 O37 2.307(8) . ?
In6 O19 2.350(8) 3_666 ?
In6 O13 2.355(9) . ?
In6 O10 2.376(9) . ?
In6 O47 2.408(8) 2_645 ?
In6 O21 2.513(10) . ?
Na7 O25 2.367(9) 1_455 ?
Na7 O21 2.374(9) . ?
Na7 O45 2.409(9) 2_645 ?
Na7 O39 2.453(8) . ?
Na7 O6 2.467(8) . ?
Na7 O13 2.490(10) . ?
Na8 O17 2.315(9) . ?
Na8 O38 2.335(9) . ?
Na8 O46 2.410(8) 2_655 ?
Na8 O12 2.480(9) 3_666 ?
Na8 O2 2.489(9) 2_655 ?
Na8 O32 2.498(10) . ?
Na9 O26 2.415(10) 1_565 ?
Na9 O47 2.432(9) 4_576 ?
Na9 O19 2.467(8) . ?
Na9 O22 2.469(10) 3_666 ?
Na9 O43 2.528(10) 2_655 ?
Na9 O11 2.766(10) 1_565 ?
Na10 O18 2.427(10) . ?
Na10 O40 2.455(9) 3_666 ?
Na10 O35 2.466(10) 3_666 ?
Na10 O9 2.503(10) . ?
Na10 O23 2.533(10) 3_666 ?
Na10 O28 2.866(10) . ?
Na11 O7 2.407(10) 1_565 ?
Na11 O29 2.481(10) . ?
Na11 O26 2.490(10) 1_465 ?
Na11 O42 2.586(10) 2 ?
Na11 O45 2.666(10) 2_655 ?
Na12 O29 2.417(9) . ?
Na12 O7 2.426(10) 1_565 ?
Na12 O2 2.456(9) 2_655 ?
Na12 O46 2.463(10) 2_655 ?
Na12 O33 2.492(9) 4_575 ?
Na12 O15 2.791(10) 1_565 ?
Na13 O1 2.413(10) 1_565 ?
Na13 O14 2.439(10) 2_655 ?
Na13 O18 2.470(10) 2_655 ?
Na13 O38 2.541(10) 2_655 ?
Na13 O36 2.657(9) 4_575 ?
Na13 O34 2.992(11) 4_575 ?
Na14 O14 2.404(10) . ?
Na14 O1 2.451(10) 2_655 ?
Na14 O39 2.460(9) . ?
Na14 O6 2.492(9) . ?
Na14 O44 2.549(9) . ?
Na14 O30 2.553(9) . ?
Na15 O22 2.443(18) 3_556 ?
Na15 O48 2.507(18) 4_466 ?
Na15 O22 2.609(17) . ?
Na15 O26 2.667(14) 1_455 ?
Na15 O48 2.690(18) 2_645 ?
Na15 O45 2.736(18) 2_645 ?
Na16 O9 2.475(16) . ?
Na16 O37 2.495(16) 3_666 ?
Na16 O9 2.560(16) 3_666 ?
Na16 O37 2.661(16) . ?
Na16 O18 2.680(14) . ?
Na16 O38 2.839(16) . ?

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
_geom_angle_publ_flag
O17 Cs1 O16 100.2(2) . 1_565 ?
O17 Cs1 O10 170.9(2) . 1_565 ?
O16 Cs1 O10 79.9(2) 1_565 1_565 ?
O17 Cs1 O10 77.6(2) . 3_666 ?
O16 Cs1 O10 172.4(2) 1_565 3_666 ?
O10 Cs1 O10 101.06(18) 1_565 3_666 ?
O17 Cs1 O46 72.3(2) . 2_655 ?
O16 Cs1 O46 89.5(2) 1_565 2_655 ?
O10 Cs1 O46 116.7(2) 1_565 2_655 ?
O10 Cs1 O46 96.7(2) 3_666 2_655 ?
O17 Cs1 O47 117.3(2) . 2_655 ?
O16 Cs1 O47 107.5(2) 1_565 2_655 ?
O10 Cs1 O47 70.9(2) 1_565 2_655 ?
O10 Cs1 O47 79.8(2) 3_666 2_655 ?
O46 Cs1 O47 53.4(2) 2_655 2_655 ?
O17 Cs1 O19 53.79(19) . . ?
O16 Cs1 O19 113.7(2) 1_565 . ?
O10 Cs1 O19 117.7(2) 1_565 . ?
O10 Cs1 O19 59.08(19) 3_666 . ?
O46 Cs1 O19 123.42(18) 2_655 . ?
O47 Cs1 O19 138.72(19) 2_655 . ?
O17 Cs1 O11 120.1(2) . 1_565 ?
O16 Cs1 O11 56.9(2) 1_565 1_565 ?
O10 Cs1 O11 52.4(2) 1_565 1_565 ?
O10 Cs1 O11 117.7(2) 3_666 1_565 ?
O46 Cs1 O11 144.8(2) 2_655 1_565 ?
O47 Cs1 O11 122.24(19) 2_655 1_565 ?
O19 Cs1 O11 83.72(18) . 1_565 ?
O17 Cs1 O13 122.0(2) . 1_565 ?
O16 Cs1 O13 51.6(2) 1_565 1_565 ?
O10 Cs1 O13 65.2(2) 1_565 1_565 ?
O10 Cs1 O13 135.7(2) 3_666 1_565 ?
O46 Cs1 O13 60.1(2) 2_655 1_565 ?
O47 Cs1 O13 55.89(19) 2_655 1_565 ?
O19 Cs1 O13 165.21(19) . 1_565 ?
O11 Cs1 O13 88.0(2) 1_565 1_565 ?
O17 Cs1 O43 71.68(19) . 2_655 ?
O16 Cs1 O43 55.63(19) 1_565 2_655 ?
O10 Cs1 O43 101.42(19) 1_565 2_655 ?
O10 Cs1 O43 116.95(19) 3_666 2_655 ?
O46 Cs1 O43 122.68(19) 2_655 2_655 ?
O47 Cs1 O43 163.01(18) 2_655 2_655 ?
O19 Cs1 O43 58.23(18) . 2_655 ?
O11 Cs1 O43 49.19(18) 1_565 2_655 ?
O13 Cs1 O43 107.23(18) 1_565 2_655 ?
O4 Cs2 O16 150.8(2) 2_655 1_565 ?
O4 Cs2 O44 68.5(2) 2_655 2_655 ?
O16 Cs2 O44 110.8(2) 1_565 2_655 ?
O4 Cs2 O34 100.9(2) 2_655 4_575 ?
O16 Cs2 O34 101.86(19) 1_565 4_575 ?
O44 Cs2 O34 126.1(2) 2_655 4_575 ?
O4 Cs2 O2 54.6(2) 2_655 2_655 ?
O16 Cs2 O2 109.66(19) 1_565 2_655 ?
O44 Cs2 O2 119.9(2) 2_655 2_655 ?
O34 Cs2 O2 85.1(2) 4_575 2_655 ?
O4 Cs2 O1 104.6(2) 2_655 1_565 ?
O16 Cs2 O1 102.30(18) 1_565 1_565 ?
O44 Cs2 O1 70.5(2) 2_655 1_565 ?
O34 Cs2 O1 61.3(2) 4_575 1_565 ?
O2 Cs2 O1 137.6(2) 2_655 1_565 ?
O4 Cs2 O43 105.4(2) 2_655 2_655 ?
O16 Cs2 O43 60.1(2) 1_565 2_655 ?
O44 Cs2 O43 53.1(2) 2_655 2_655 ?
O34 Cs2 O43 149.1(2) 4_575 2_655 ?
O2 Cs2 O43 123.6(2) 2_655 2_655 ?
O1 Cs2 O43 96.2(2) 1_565 2_655 ?
O4 Cs2 O3 135.0(2) 2_655 1_565 ?
O16 Cs2 O3 59.7(2) 1_565 1_565 ?
O44 Cs2 O3 67.7(2) 2_655 1_565 ?
O34 Cs2 O3 96.1(2) 4_575 1_565 ?
O2 Cs2 O3 169.32(19) 2_655 1_565 ?
O1 Cs2 O3 50.1(2) 1_565 1_565 ?
O43 Cs2 O3 53.5(2) 2_655 1_565 ?
O4 Cs2 O15 133.7(2) 2_655 1_565 ?
O16 Cs2 O15 52.32(19) 1_565 1_565 ?
O44 Cs2 O15 157.6(2) 2_655 1_565 ?
O34 Cs2 O15 55.4(2) 4_575 1_565 ?
O2 Cs2 O15 82.0(2) 2_655 1_565 ?
O1 Cs2 O15 97.0(2) 1_565 1_565 ?
O43 Cs2 O15 112.42(19) 2_655 1_565 ?
O3 Cs2 O15 89.9(2) 1_565 1_565 ?
O4 Cs2 O17 63.3(2) 2_655 . ?
O16 Cs2 O17 87.54(19) 1_565 . ?
O44 Cs2 O17 86.57(19) 2_655 . ?
O34 Cs2 O17 137.5(2) 4_575 . ?
O2 Cs2 O17 53.17(19) 2_655 . ?
O1 Cs2 O17 157.0(2) 1_565 . ?
O43 Cs2 O17 70.53(18) 2_655 . ?
O3 Cs2 O17 123.5(2) 1_565 . ?
O15 Cs2 O17 105.4(2) 1_565 . ?
O4 Cs2 O4 146.98(6) 2_655 1_565 ?
O16 Cs2 O4 62.16(19) 1_565 1_565 ?
O44 Cs2 O4 108.5(2) 2_655 1_565 ?
O34 Cs2 O4 52.7(2) 4_575 1_565 ?
O2 Cs2 O4 129.23(19) 2_655 1_565 ?
O1 Cs2 O4 47.88(17) 1_565 1_565 ?
O43 Cs2 O4 96.64(19) 2_655 1_565 ?
O3 Cs2 O4 47.1(2) 1_565 1_565 ?
O15 Cs2 O4 52.4(2) 1_565 1_565 ?
O17 Cs2 O4 149.18(18) . 1_565 ?
O5 Cs3 O31 151.9(2) 2 2 ?
O5 Cs3 O33 74.3(2) 2 4_575 ?
O31 Cs3 O33 108.4(2) 2 4_575 ?
O5 Cs3 O6 54.2(2) 2 2 ?
O31 Cs3 O6 108.3(2) 2 2 ?
O33 Cs3 O6 124.4(2) 4_575 2 ?
O5 Cs3 O41 97.1(2) 2 2 ?
O31 Cs3 O41 102.2(2) 2 2 ?
O33 Cs3 O41 127.3(3) 4_575 2 ?
O6 Cs3 O41 82.4(3) 2 2 ?
O5 Cs3 O30 129.8(2) 2 2 ?
O31 Cs3 O30 51.8(2) 2 2 ?
O33 Cs3 O30 155.8(2) 4_575 2 ?
O6 Cs3 O30 78.7(2) 2 2 ?
O41 Cs3 O30 56.5(3) 2 2 ?
O5 Cs3 O7 103.6(2) 2 1_565 ?
O31 Cs3 O7 103.1(2) 2 1_565 ?
O33 Cs3 O7 68.1(2) 4_575 1_565 ?
O6 Cs3 O7 137.87(19) 2 1_565 ?
O41 Cs3 O7 63.8(3) 2 1_565 ?
O30 Cs3 O7 100.4(2) 2 1_565 ?
O5 Cs3 O8 134.8(2) 2 1_565 ?
O31 Cs3 O8 61.9(2) 2 1_565 ?
O33 Cs3 O8 62.4(2) 4_575 1_565 ?
O6 Cs3 O8 170.15(19) 2 1_565 ?
O41 Cs3 O8 98.8(2) 2 1_565 ?
O30 Cs3 O8 93.74(19) 2 1_565 ?
O7 Cs3 O8 49.30(18) 1_565 1_565 ?
O5 Cs3 O35 107.8(2) 2 4_575 ?
O31 Cs3 O35 60.8(2) 2 4_575 ?
O33 Cs3 O35 50.9(2) 4_575 4_575 ?
O6 Cs3 O35 123.6(2) 2 4_575 ?
O41 Cs3 O35 151.4(2) 2 4_575 ?
O30 Cs3 O35 112.6(2) 2 4_575 ?
O7 Cs3 O35 96.0(2) 1_565 4_575 ?
O8 Cs3 O35 53.51(19) 1_565 4_575 ?
O5 Cs3 O25 63.9(2) 2 2_655 ?
O31 Cs3 O25 88.1(2) 2 2_655 ?
O33 Cs3 O25 87.71(19) 4_575 2_655 ?
O6 Cs3 O25 53.69(18) 2 2_655 ?
O41 Cs3 O25 135.7(3) 2 2_655 ?
O30 Cs3 O25 103.67(19) 2 2_655 ?
O7 Cs3 O25 155.42(19) 1_565 2_655 ?
O8 Cs3 O25 123.42(18) 1_565 2_655 ?
O35 Cs3 O25 70.16(19) 4_575 2_655 ?
O5 Cs3 O5 144.52(5) 2 1_565 ?
O31 Cs3 O5 63.2(2) 2 1_565 ?
O33 Cs3 O5 103.70(19) 4_575 1_565 ?
O6 Cs3 O5 129.82(18) 2 1_565 ?
O41 Cs3 O5 55.2(2) 2 1_565 ?
O30 Cs3 O5 56.87(19) 2 1_565 ?
O7 Cs3 O5 46.96(18) 1_565 1_565 ?
O8 Cs3 O5 46.98(17) 1_565 1_565 ?
O35 Cs3 O5 96.35(19) 4_575 1_565 ?
O25 Cs3 O5 151.11(19) 2_655 1_565 ?
O25 Cs4 O24 176.3(2) 1_455 3_566 ?
O25 Cs4 O31 103.4(2) 1_455 . ?
O24 Cs4 O31 74.2(2) 3_566 . ?
O25 Cs4 O24 82.3(2) 1_455 . ?
O24 Cs4 O24 99.70(19) 3_566 . ?
O31 Cs4 O24 169.8(2) . . ?
O25 Cs4 O39 75.17(19) 1_455 . ?
O24 Cs4 O39 107.24(19) 3_566 . ?
O31 Cs4 O39 87.2(2) . . ?
O24 Cs4 O39 102.58(19) . . ?
O25 Cs4 O28 54.7(2) 1_455 1_455 ?
O24 Cs4 O28 124.0(2) 3_566 1_455 ?
O31 Cs4 O28 120.0(2) . 1_455 ?
O24 Cs4 O28 56.4(2) . 1_455 ?
O39 Cs4 O28 126.1(2) . 1_455 ?
O25 Cs4 O40 122.2(2) 1_455 . ?
O24 Cs4 O40 61.19(19) 3_566 . ?
O31 Cs4 O40 99.0(2) . . ?
O24 Cs4 O40 84.68(19) . . ?
O39 Cs4 O40 53.48(18) . . ?
O28 Cs4 O40 140.92(19) 1_455 . ?
O25 Cs4 O23 123.3(2) 1_455 3_566 ?
O24 Cs4 O23 53.1(2) 3_566 3_566 ?
O31 Cs4 O23 57.1(2) . 3_566 ?
O24 Cs4 O23 112.7(2) . 3_566 ?
O39 Cs4 O23 141.48(19) . 3_566 ?
O28 Cs4 O23 87.6(2) 1_455 3_566 ?
O40 Cs4 O23 113.65(18) . 3_566 ?
O25 Cs4 O21 67.4(2) 1_455 . ?
O24 Cs4 O21 116.3(2) 3_566 . ?
O31 Cs4 O21 139.6(2) . . ?
O24 Cs4 O21 50.31(19) . . ?
O39 Cs4 O21 52.56(19) . . ?
O28 Cs4 O21 87.7(2) 1_455 . ?
O40 Cs4 O21 61.28(18) . . ?
O23 Cs4 O21 161.01(19) 3_566 . ?
O25 Cs4 O32 125.0(2) 1_455 . ?
O24 Cs4 O32 55.64(19) 3_566 . ?
O31 Cs4 O32 50.1(2) . . ?
O24 Cs4 O32 133.0(2) . . ?
O39 Cs4 O32 58.81(19) . . ?
O28 Cs4 O32 170.0(2) 1_455 . ?
O40 Cs4 O32 48.90(18) . . ?
O23 Cs4 O32 85.1(2) 3_566 . ?
O21 Cs4 O32 101.3(2) . . ?
O2 Mo1 O4 109.8(4) . . ?
O2 Mo1 O1 111.1(4) . . ?
O4 Mo1 O1 110.1(4) . . ?
O2 Mo1 O3 110.2(4) . . ?
O4 Mo1 O3 107.3(4) . . ?
O1 Mo1 O3 108.2(4) . . ?
O7 Mo2 O5 109.2(4) . . ?
O7 Mo2 O6 111.5(4) . . ?
O5 Mo2 O6 107.5(4) . . ?
O7 Mo2 O8 109.4(4) . . ?
O5 Mo2 O8 106.6(4) . . ?
O6 Mo2 O8 112.5(3) . . ?
O10 Mo3 O9 109.3(4) . . ?
O10 Mo3 O12 107.8(4) . . ?
O9 Mo3 O12 110.1(4) . . ?
O10 Mo3 O11 107.3(4) . . ?
O9 Mo3 O11 112.4(4) . . ?
O12 Mo3 O11 109.9(4) . . ?
O13 Mo4 O14 109.1(4) . . ?
O13 Mo4 O16 108.4(4) . . ?
O14 Mo4 O16 111.6(4) . . ?
O13 Mo4 O15 108.4(4) . . ?
O14 Mo4 O15 111.2(4) . . ?
O16 Mo4 O15 108.0(4) . . ?
O17 Mo5 O19 107.9(4) . . ?
O17 Mo5 O18 108.4(4) . . ?
O19 Mo5 O18 113.3(4) . . ?
O17 Mo5 O20 108.3(4) . . ?
O19 Mo5 O20 108.9(4) . . ?
O18 Mo5 O20 109.9(4) . . ?
O21 Mo6 O22 109.7(4) . . ?
O21 Mo6 O23 108.6(4) . . ?
O22 Mo6 O23 111.6(4) . . ?
O21 Mo6 O24 108.0(4) . . ?
O22 Mo6 O24 110.3(4) . . ?
O23 Mo6 O24 108.6(4) . . ?
O25 Mo7 O26 108.9(4) . . ?
O25 Mo7 O27 107.5(4) . . ?
O26 Mo7 O27 109.8(4) . . ?
O25 Mo7 O28 108.7(4) . . ?
O26 Mo7 O28 111.4(4) . . ?
O27 Mo7 O28 110.4(4) . . ?
O29 Mo8 O30 111.6(4) . . ?
O29 Mo8 O31 110.8(4) . . ?
O30 Mo8 O31 107.3(4) . . ?
O29 Mo8 O32 109.9(4) . . ?
O30 Mo8 O32 108.4(4) . . ?
O31 Mo8 O32 108.7(4) . . ?
O33 Mo9 O34 108.3(4) . . ?
O33 Mo9 O35 110.6(4) . . ?
O34 Mo9 O35 109.3(4) . . ?
O33 Mo9 O36 113.9(4) . . ?
O34 Mo9 O36 103.2(4) . . ?
O35 Mo9 O36 111.2(4) . . ?
O37 Mo10 O39 113.2(4) . . ?
O37 Mo10 O38 104.0(4) . . ?
O39 Mo10 O38 109.0(4) . . ?
O37 Mo10 O40 106.7(4) . . ?
O39 Mo10 O40 111.0(4) . . ?
O38 Mo10 O40 112.8(4) . . ?
O41 Mo11 O42 101.8(5) . . ?
O41 Mo11 O44 108.7(5) . . ?
O42 Mo11 O44 115.7(4) . . ?
O41 Mo11 O43 110.1(4) . . ?
O42 Mo11 O43 110.3(4) . . ?
O44 Mo11 O43 109.9(4) . . ?
O45 Mo12 O46 110.2(4) . . ?
O45 Mo12 O47 110.9(4) . . ?
O46 Mo12 O47 109.0(4) . . ?
O45 Mo12 O48 102.2(4) . . ?
O46 Mo12 O48 114.2(4) . . ?
O47 Mo12 O48 110.1(4) . . ?
O24 In1 O48 89.7(3) 1_655 4_566 ?
O24 In1 O40 96.5(3) 1_655 3_666 ?
O48 In1 O40 173.0(3) 4_566 3_666 ?
O24 In1 O28 88.8(3) 1_655 . ?
O48 In1 O28 97.6(3) 4_566 . ?
O40 In1 O28 85.7(3) 3_666 . ?
O24 In1 O32 93.9(3) 1_655 3_666 ?
O48 In1 O32 92.9(3) 4_566 3_666 ?
O40 In1 O32 83.6(3) 3_666 3_666 ?
O28 In1 O32 169.2(3) . 3_666 ?
O24 In1 O12 171.7(3) 1_655 . ?
O48 In1 O12 82.2(3) 4_566 . ?
O40 In1 O12 91.7(3) 3_666 . ?
O28 In1 O12 90.4(3) . . ?
O32 In1 O12 88.4(3) 3_666 . ?
O16 In2 O3 95.4(3) . . ?
O16 In2 O36 93.3(3) . 3_666 ?
O3 In2 O36 91.6(3) . 3_666 ?
O16 In2 O11 87.9(3) . . ?
O3 In2 O11 169.9(3) . . ?
O36 In2 O11 97.7(3) 3_666 . ?
O16 In2 O27 171.5(3) . . ?
O3 In2 O27 88.1(3) . . ?
O36 In2 O27 78.9(3) 3_666 . ?
O11 In2 O27 89.9(3) . . ?
O16 In2 O43 93.6(3) . 2_645 ?
O3 In2 O43 86.5(3) . 2_645 ?
O36 In2 O43 172.9(3) 3_666 2_645 ?
O11 In2 O43 83.8(3) . 2_645 ?
O27 In2 O43 94.3(3) . 2_645 ?
O34 In3 O20 85.6(3) 4_565 2_645 ?
O34 In3 O4 88.7(3) 4_565 . ?
O20 In3 O4 100.9(3) 2_645 . ?
O34 In3 O8 88.2(3) 4_565 . ?
O20 In3 O8 84.9(3) 2_645 . ?
O4 In3 O8 173.2(3) . . ?
O34 In3 O15 87.2(3) 4_565 . ?
O20 In3 O15 167.5(3) 2_645 . ?
O4 In3 O15 89.1(3) . . ?
O8 In3 O15 84.6(3) . . ?
O34 In3 O44 164.7(3) 4_565 . ?
O20 In3 O44 79.5(3) 2_645 . ?
O4 In3 O44 97.7(3) . . ?
O8 In3 O44 86.8(3) . . ?
O15 In3 O44 106.7(3) . . ?
O31 In4 O8 99.2(3) 2_545 . ?
O31 In4 O20 173.3(3) 2_545 2_645 ?
O8 In4 O20 83.4(3) . 2_645 ?
O31 In4 O42 96.5(3) 2_545 . ?
O8 In4 O42 93.4(3) . . ?
O20 In4 O42 77.1(3) 2_645 . ?
O31 In4 O23 85.9(3) 2_545 4_565 ?
O8 In4 O23 167.0(3) . 4_565 ?
O20 In4 O23 92.9(3) 2_645 4_565 ?
O42 In4 O23 97.9(3) . 4_565 ?
O31 In4 O35 93.9(3) 2_545 4_565 ?
O8 In4 O35 86.3(3) . 4_565 ?
O20 In4 O35 92.4(3) 2_645 4_565 ?
O42 In4 O35 169.5(3) . 4_565 ?
O23 In4 O35 81.4(3) 4_565 4_565 ?
O5 In5 O41 87.1(4) 1_655 2_645 ?
O5 In5 O27 101.8(3) 1_655 . ?
O41 In5 O27 84.5(4) 2_645 . ?
O5 In5 O3 171.9(3) 1_655 . ?
O41 In5 O3 85.4(4) 2_645 . ?
O27 In5 O3 80.5(3) . . ?
O5 In5 O30 89.8(3) 1_655 2_645 ?
O41 In5 O30 81.6(4) 2_645 2_645 ?
O27 In5 O30 161.4(3) . 2_645 ?
O3 In5 O30 86.1(3) . 2_645 ?
O5 In5 O33 102.8(3) 1_655 3_666 ?
O41 In5 O33 160.9(4) 2_645 3_666 ?
O27 In5 O33 77.6(3) . 3_666 ?
O3 In5 O33 85.2(3) . 3_666 ?
O30 In5 O33 114.3(3) 2_645 3_666 ?
O37 In6 O19 100.6(3) . 3_666 ?
O37 In6 O13 96.4(3) . . ?
O19 In6 O13 163.0(3) 3_666 . ?
O37 In6 O10 91.8(3) . . ?
O19 In6 O10 83.4(3) 3_666 . ?
O13 In6 O10 96.9(3) . . ?
O37 In6 O47 169.1(3) . 2_645 ?
O19 In6 O47 80.4(3) 3_666 2_645 ?
O13 In6 O47 82.7(3) . 2_645 ?
O10 In6 O47 99.0(3) . 2_645 ?
O37 In6 O21 77.4(3) . . ?
O19 In6 O21 95.3(3) 3_666 . ?
O13 In6 O21 87.6(3) . . ?
O10 In6 O21 168.8(3) . . ?
O47 In6 O21 91.7(3) 2_645 . ?
O25 Na7 O21 99.7(3) 1_455 . ?
O25 Na7 O45 90.5(3) 1_455 2_645 ?
O21 Na7 O45 81.5(3) . 2_645 ?
O25 Na7 O39 103.4(3) 1_455 . ?
O21 Na7 O39 77.3(3) . . ?
O45 Na7 O39 156.3(3) 2_645 . ?
O25 Na7 O6 79.2(3) 1_455 . ?
O21 Na7 O6 155.6(3) . . ?
O45 Na7 O6 122.7(3) 2_645 . ?
O39 Na7 O6 79.3(3) . . ?
O25 Na7 O13 169.1(4) 1_455 . ?
O21 Na7 O13 87.7(3) . . ?
O45 Na7 O13 82.6(3) 2_645 . ?
O39 Na7 O13 86.0(3) . . ?
O6 Na7 O13 97.4(3) . . ?
O17 Na8 O38 93.3(3) . . ?
O17 Na8 O46 100.9(3) . 2_655 ?
O38 Na8 O46 158.2(3) . 2_655 ?
O17 Na8 O12 107.9(3) . 3_666 ?
O38 Na8 O12 81.6(3) . 3_666 ?
O46 Na8 O12 78.4(3) 2_655 3_666 ?
O17 Na8 O2 78.9(3) . 2_655 ?
O38 Na8 O2 119.0(3) . 2_655 ?
O46 Na8 O2 80.3(3) 2_655 2_655 ?
O12 Na8 O2 158.5(3) 3_666 2_655 ?
O17 Na8 O32 173.5(3) . . ?
O38 Na8 O32 82.0(3) . . ?
O46 Na8 O32 85.0(3) 2_655 . ?
O12 Na8 O32 75.9(3) 3_666 . ?
O2 Na8 O32 99.5(3) 2_655 . ?
O26 Na9 O47 116.5(4) 1_565 4_576 ?
O26 Na9 O19 159.3(4) 1_565 . ?
O47 Na9 O19 77.7(3) 4_576 . ?
O26 Na9 O22 75.0(3) 1_565 3_666 ?
O47 Na9 O22 89.5(3) 4_576 3_666 ?
O19 Na9 O22 91.0(3) . 3_666 ?
O26 Na9 O43 88.7(3) 1_565 2_655 ?
O47 Na9 O43 142.4(3) 4_576 2_655 ?
O19 Na9 O43 87.3(3) . 2_655 ?
O22 Na9 O43 125.5(4) 3_666 2_655 ?
O26 Na9 O11 82.7(3) 1_565 1_565 ?
O47 Na9 O11 86.5(3) 4_576 1_565 ?
O19 Na9 O11 114.5(3) . 1_565 ?
O22 Na9 O11 152.6(3) 3_666 1_565 ?
O43 Na9 O11 68.6(3) 2_655 1_565 ?
O18 Na10 O40 128.3(4) . 3_666 ?
O18 Na10 O35 89.6(3) . 3_666 ?
O40 Na10 O35 140.6(3) 3_666 3_666 ?
O18 Na10 O9 75.9(3) . . ?
O40 Na10 O9 88.2(3) 3_666 . ?
O35 Na10 O9 114.7(4) 3_666 . ?
O18 Na10 O23 88.0(3) . 3_666 ?
O40 Na10 O23 93.9(3) 3_666 3_666 ?
O35 Na10 O23 74.7(3) 3_666 3_666 ?
O9 Na10 O23 160.9(4) . 3_666 ?
O18 Na10 O28 151.9(3) . . ?
O40 Na10 O28 66.3(2) 3_666 . ?
O35 Na10 O28 85.1(3) 3_666 . ?
O9 Na10 O28 81.3(3) . . ?
O23 Na10 O28 116.9(3) 3_666 . ?
O7 Na11 O29 78.7(3) 1_565 . ?
O7 Na11 O26 114.3(3) 1_565 1_465 ?
O29 Na11 O26 166.5(4) . 1_465 ?
O7 Na11 O42 126.3(4) 1_565 2 ?
O29 Na11 O42 84.9(3) . 2 ?
O26 Na11 O42 89.6(4) 1_465 2 ?
O7 Na11 O45 77.5(3) 1_565 2_655 ?
O29 Na11 O45 101.8(3) . 2_655 ?
O26 Na11 O45 78.6(3) 1_465 2_655 ?
O42 Na11 O45 156.2(4) 2 2_655 ?
O29 Na12 O7 79.6(3) . 1_565 ?
O29 Na12 O2 90.4(3) . 2_655 ?
O7 Na12 O2 168.3(4) 1_565 2_655 ?
O29 Na12 O46 85.2(3) . 2_655 ?
O7 Na12 O46 105.0(3) 1_565 2_655 ?
O2 Na12 O46 79.9(3) 2_655 2_655 ?
O29 Na12 O33 90.7(3) . 4_575 ?
O7 Na12 O33 97.6(3) 1_565 4_575 ?
O2 Na12 O33 76.3(3) 2_655 4_575 ?
O46 Na12 O33 155.8(3) 2_655 4_575 ?
O29 Na12 O15 156.2(3) . 1_565 ?
O7 Na12 O15 77.5(3) 1_565 1_565 ?
O2 Na12 O15 113.1(3) 2_655 1_565 ?
O46 Na12 O15 94.5(3) 2_655 1_565 ?
O33 Na12 O15 98.7(3) 4_575 1_565 ?
O1 Na13 O14 76.3(3) 1_565 2_655 ?
O1 Na13 O18 112.4(3) 1_565 2_655 ?
O14 Na13 O18 170.7(4) 2_655 2_655 ?
O1 Na13 O38 76.1(3) 1_565 2_655 ?
O14 Na13 O38 100.1(3) 2_655 2_655 ?
O18 Na13 O38 79.6(3) 2_655 2_655 ?
O1 Na13 O36 120.7(4) 1_565 4_575 ?
O14 Na13 O36 80.3(3) 2_655 4_575 ?
O18 Na13 O36 97.1(3) 2_655 4_575 ?
O38 Na13 O36 162.3(4) 2_655 4_575 ?
O1 Na13 O34 75.8(3) 1_565 4_575 ?
O14 Na13 O34 104.2(3) 2_655 4_575 ?
O18 Na13 O34 81.7(3) 2_655 4_575 ?
O38 Na13 O34 136.9(3) 2_655 4_575 ?
O36 Na13 O34 58.5(2) 4_575 4_575 ?
O14 Na14 O1 76.3(3) . 2_655 ?
O14 Na14 O39 83.7(3) . . ?
O1 Na14 O39 106.2(3) 2_655 . ?
O14 Na14 O6 92.2(3) . . ?
O1 Na14 O6 166.7(3) 2_655 . ?
O39 Na14 O6 78.7(3) . . ?
O14 Na14 O44 87.4(4) . . ?
O1 Na14 O44 97.7(3) 2_655 . ?
O39 Na14 O44 151.5(3) . . ?
O6 Na14 O44 74.7(3) . . ?
O14 Na14 O30 154.9(4) . . ?
O1 Na14 O30 81.2(3) 2_655 . ?
O39 Na14 O30 92.0(3) . . ?
O6 Na14 O30 111.3(3) . . ?
O44 Na14 O30 106.9(3) . . ?
O22 Na15 O22 162.4(5) 3_556 . ?
O48 Na15 O22 78.2(5) 4_466 . ?
Na15 Na15 O26 161(3) 3_556 1_455 ?
O22 Na15 O26 71.0(4) 3_556 1_455 ?
O48 Na15 O26 80.6(5) 4_466 1_455 ?
O22 Na15 O26 126.3(6) . 1_455 ?
O22 Na15 O48 77.7(5) 3_556 2_645 ?
O48 Na15 O48 163.0(5) 4_466 2_645 ?
O22 Na15 O48 95.0(6) . 2_645 ?
O26 Na15 O48 115.5(5) 1_455 2_645 ?
O22 Na15 O45 104.4(5) 3_556 2_645 ?
O48 Na15 O45 132.9(6) 4_466 2_645 ?
O22 Na15 O45 85.4(6) . 2_645 ?
O26 Na15 O45 74.5(4) 1_455 2_645 ?
O48 Na15 O45 60.8(4) 2_645 2_645 ?
O9 Na16 O9 162.2(4) . 3_666 ?
O37 Na16 O9 86.5(5) 3_666 3_666 ?
O9 Na16 O37 84.7(5) . . ?
O37 Na16 O37 162.9(4) 3_666 . ?
O9 Na16 O37 88.9(5) 3_666 . ?
O9 Na16 O18 72.0(4) . . ?
O37 Na16 O18 77.1(5) 3_666 . ?
O9 Na16 O18 125.4(5) 3_666 . ?
O37 Na16 O18 118.6(5) . . ?
O9 Na16 O38 102.6(5) . . ?
O37 Na16 O38 136.4(5) 3_666 . ?
O9 Na16 O38 88.4(5) 3_666 . ?
O37 Na16 O38 59.8(4) . . ?
O18 Na16 O38 71.0(3) . . ?
Mo1 O1 Na13 142.5(5) . 1_545 ?
Mo1 O1 Na14 120.9(5) . 2_645 ?
Na13 O1 Na14 96.3(3) 1_545 2_645 ?
Mo1 O1 Cs2 85.8(3) . 1_545 ?
Na13 O1 Cs2 98.2(3) 1_545 1_545 ?
Na14 O1 Cs2 92.2(3) 2_645 1_545 ?
Mo1 O2 Na12 152.4(4) . 2_645 ?
Mo1 O2 Na8 109.5(4) . 2_645 ?
Na12 O2 Na8 96.9(3) 2_645 2_645 ?
Mo1 O2 Cs2 91.7(3) . 2_645 ?
Na12 O2 Cs2 86.4(3) 2_645 2_645 ?
Na8 O2 Cs2 110.5(3) 2_645 2_645 ?
Mo1 O3 In2 142.4(5) . . ?
Mo1 O3 In5 112.2(4) . . ?
In2 O3 In5 95.7(4) . . ?
Mo1 O3 Cs2 84.6(3) . 1_545 ?
In2 O3 Cs2 86.6(2) . 1_545 ?
In5 O3 Cs2 144.6(3) . 1_545 ?
Mo1 O4 In3 146.3(4) . . ?
Mo1 O4 Cs2 102.5(3) . 2_645 ?
In3 O4 Cs2 99.0(3) . 2_645 ?
Mo1 O4 Cs2 75.9(3) . 1_545 ?
In3 O4 Cs2 87.8(2) . 1_545 ?
Cs2 O4 Cs2 168.4(3) 2_645 1_545 ?
Mo2 O5 Na5 150.1(5) . 1_455 ?
Mo2 O5 In5 150.1(5) . 1_455 ?
Na5 O5 In5 0.0(3) 1_455 1_455 ?
Mo2 O5 Cs3 102.0(3) . 2_545 ?
Na5 O5 Cs3 93.2(3) 1_455 2_545 ?
In5 O5 Cs3 93.2(3) 1_455 2_545 ?
Mo2 O5 Cs3 79.3(3) . 1_545 ?
Na5 O5 Cs3 89.7(2) 1_455 1_545 ?
In5 O5 Cs3 89.7(2) 1_455 1_545 ?
Cs3 O5 Cs3 170.9(3) 2_545 1_545 ?
Mo2 O6 Na7 109.4(3) . . ?
Mo2 O6 Na14 148.9(4) . . ?
Na7 O6 Na14 98.1(3) . . ?
Mo2 O6 Cs3 95.1(3) . 2_545 ?
Na7 O6 Cs3 112.4(3) . 2_545 ?
Na14 O6 Cs3 87.2(2) . 2_545 ?
Mo2 O7 Na11 143.5(5) . 1_545 ?
Mo2 O7 Na12 120.9(4) . 1_545 ?
Na11 O7 Na12 95.6(3) 1_545 1_545 ?
Mo2 O7 Cs3 85.5(3) . 1_545 ?
Na11 O7 Cs3 95.2(3) 1_545 1_545 ?
Na12 O7 Cs3 90.7(3) 1_545 1_545 ?
Mo2 O8 In4 138.4(4) . . ?
Mo2 O8 In3 116.1(4) . . ?
In4 O8 In3 95.4(3) . . ?
Mo2 O8 Cs3 83.0(3) . 1_545 ?
In4 O8 Cs3 85.0(2) . 1_545 ?
In3 O8 Cs3 146.2(3) . 1_545 ?
Mo3 O9 Na16 131.3(5) . . ?
Mo3 O9 Na10 121.6(4) . . ?
Na16 O9 Na10 92.0(4) . . ?
Mo3 O9 Na16 113.6(5) . 3_666 ?
Na16 O9 Na16 17.8(4) . 3_666 ?
Na10 O9 Na16 103.0(4) . 3_666 ?
Mo3 O10 In6 143.0(4) . . ?
Mo3 O10 Cs1 106.1(3) . 1_545 ?
In6 O10 Cs1 88.9(3) . 1_545 ?
Mo3 O10 Cs1 114.7(4) . 3_666 ?
In6 O10 Cs1 101.2(3) . 3_666 ?
Cs1 O10 Cs1 78.94(18) 1_545 3_666 ?
Mo3 O11 In2 133.1(4) . . ?
Mo3 O11 Na9 128.1(4) . 1_545 ?
In2 O11 Na9 98.8(3) . 1_545 ?
Mo3 O11 Cs1 93.9(3) . 1_545 ?
In2 O11 Cs1 94.3(3) . 1_545 ?
Na9 O11 Cs1 77.9(2) 1_545 1_545 ?
Mo3 O12 In1 123.2(4) . . ?
Mo3 O12 Na8 132.4(4) . 3_666 ?
In1 O12 Na8 97.8(3) . 3_666 ?
Mo4 O13 In6 142.3(5) . . ?
Mo4 O13 Na7 113.4(4) . . ?
In6 O13 Na7 92.9(3) . . ?
Mo4 O13 Cs1 90.3(3) . 1_545 ?
In6 O13 Cs1 79.5(3) . 1_545 ?
Na7 O13 Cs1 147.0(3) . 1_545 ?
Mo4 O14 Na14 122.9(4) . . ?
Mo4 O14 Na13 132.6(5) . 2_645 ?
Na14 O14 Na13 96.8(3) . 2_645 ?
Mo4 O15 In3 119.9(4) . . ?
Mo4 O15 Na12 123.9(5) . 1_545 ?
In3 O15 Na12 116.0(3) . 1_545 ?
Mo4 O15 Cs2 93.5(3) . 1_545 ?
In3 O15 Cs2 94.4(3) . 1_545 ?
Na12 O15 Cs2 78.2(2) 1_545 1_545 ?
Mo4 O16 In2 142.1(4) . . ?
Mo4 O16 Cs1 105.9(3) . 1_545 ?
In2 O16 Cs1 104.6(3) . 1_545 ?
Mo4 O16 Cs2 106.1(3) . 1_545 ?
In2 O16 Cs2 95.8(3) . 1_545 ?
Cs1 O16 Cs2 89.82(19) 1_545 1_545 ?
Mo5 O17 Na8 139.2(4) . . ?
Mo5 O17 Cs1 104.2(3) . . ?
Na8 O17 Cs1 90.8(3) . . ?
Mo5 O17 Cs2 113.5(3) . . ?
Na8 O17 Cs2 106.0(3) . . ?
Cs1 O17 Cs2 82.21(19) . . ?
Mo5 O18 Na10 120.2(4) . . ?
Mo5 O18 Na13 119.3(4) . 2_645 ?
Na10 O18 Na13 105.2(4) . 2_645 ?
Mo5 O18 Na16 130.4(5) . . ?
Na10 O18 Na16 88.9(4) . . ?
Na13 O18 Na16 84.8(4) 2_645 . ?
Mo5 O19 Na6 128.6(4) . 3_666 ?
Mo5 O19 In6 128.6(4) . 3_666 ?
Na6 O19 In6 0.00(15) 3_666 3_666 ?
Mo5 O19 Na9 132.7(4) . . ?
Na6 O19 Na9 98.3(3) 3_666 . ?
In6 O19 Na9 98.3(3) 3_666 . ?
Mo5 O19 Cs1 93.8(3) . . ?
Na6 O19 Cs1 98.2(3) 3_666 . ?
In6 O19 Cs1 98.2(3) 3_666 . ?
Na9 O19 Cs1 83.9(2) . . ?
Mo5 O20 Na3 135.1(4) . 2_655 ?
Mo5 O20 In3 135.1(4) . 2_655 ?
Na3 O20 In3 0.00(8) 2_655 2_655 ?
Mo5 O20 Na4 120.3(4) . 2_655 ?
Na3 O20 Na4 95.8(3) 2_655 2_655 ?
In3 O20 Na4 95.8(3) 2_655 2_655 ?
Mo5 O20 In4 120.3(4) . 2_655 ?
Na3 O20 In4 95.8(3) 2_655 2_655 ?
In3 O20 In4 95.8(3) 2_655 2_655 ?
Na4 O20 In4 0.00(9) 2_655 2_655 ?
Mo6 O21 Na7 143.7(5) . . ?
Mo6 O21 In6 114.9(4) . . ?
Na7 O21 In6 91.8(3) . . ?
Mo6 O21 Cs4 91.4(3) . . ?
Na7 O21 Cs4 75.8(3) . . ?
In6 O21 Cs4 146.5(3) . . ?
Mo6 O22 Na15 132.1(5) . 3_556 ?
Mo6 O22 Na9 121.1(5) . 3_666 ?
Na15 O22 Na9 95.6(5) 3_556 3_666 ?
Mo6 O22 Na15 114.7(5) . . ?
Na15 O22 Na15 17.6(5) 3_556 . ?
Na9 O22 Na15 107.3(5) 3_666 . ?
Mo6 O23 Na4 129.7(4) . 4_566 ?
Mo6 O23 In4 129.7(4) . 4_566 ?
Na4 O23 In4 0.00(10) 4_566 4_566 ?
Mo6 O23 Na10 130.4(4) . 3_666 ?
Na4 O23 Na10 99.6(3) 4_566 3_666 ?
In4 O23 Na10 99.6(3) 4_566 3_666 ?
Mo6 O23 Cs4 91.6(3) . 3_566 ?
Na4 O23 Cs4 93.3(2) 4_566 3_566 ?
In4 O23 Cs4 93.3(2) 4_566 3_566 ?
Na10 O23 Cs4 78.6(3) 3_666 3_566 ?
Mo6 O24 Na1 145.0(4) . 1_455 ?
Mo6 O24 In1 145.0(4) . 1_455 ?
Na1 O24 In1 0.00(4) 1_455 1_455 ?
Mo6 O24 Cs4 105.3(3) . 3_566 ?
Na1 O24 Cs4 99.4(3) 1_455 3_566 ?
In1 O24 Cs4 99.4(3) 1_455 3_566 ?
Mo6 O24 Cs4 105.9(3) . . ?
Na1 O24 Cs4 102.3(3) 1_455 . ?
In1 O24 Cs4 102.3(3) 1_455 . ?
Cs4 O24 Cs4 80.30(19) 3_566 . ?
Mo7 O25 Na7 141.6(5) . 1_655 ?
Mo7 O25 Cs4 104.1(3) . 1_655 ?
Na7 O25 Cs4 89.2(3) 1_655 1_655 ?
Mo7 O25 Cs3 115.0(3) . 2_645 ?
Na7 O25 Cs3 102.6(3) 1_655 2_645 ?
Cs4 O25 Cs3 80.6(2) 1_655 2_645 ?
Mo7 O26 Na9 122.9(5) . 1_545 ?
Mo7 O26 Na11 118.3(4) . 1_645 ?
Na9 O26 Na11 105.1(4) 1_545 1_645 ?
Mo7 O26 Na15 124.2(6) . 1_655 ?
Na9 O26 Na15 91.3(5) 1_545 1_655 ?
Na11 O26 Na15 87.2(5) 1_645 1_655 ?
Mo7 O27 In2 122.4(4) . . ?
Mo7 O27 In5 132.8(4) . . ?
In2 O27 In5 95.2(3) . . ?
Mo7 O28 In1 137.6(5) . . ?
Mo7 O28 Na10 126.6(4) . . ?
In1 O28 Na10 95.7(3) . . ?
Mo7 O28 Cs4 91.4(3) . 1_655 ?
In1 O28 Cs4 96.7(3) . 1_655 ?
Na10 O28 Cs4 76.8(2) . 1_655 ?
Mo8 O29 Na12 125.0(5) . . ?
Mo8 O29 Na11 129.8(5) . . ?
Na12 O29 Na11 93.9(3) . . ?
Mo8 O30 Na5 111.4(4) . 2_655 ?
Mo8 O30 In5 111.4(4) . 2_655 ?
Na5 O30 In5 0.00(19) 2_655 2_655 ?
Mo8 O30 Na14 132.6(4) . . ?
Na5 O30 Na14 116.0(3) 2_655 . ?
In5 O30 Na14 116.0(3) 2_655 . ?
Mo8 O30 Cs3 95.6(3) . 2_545 ?
Na5 O30 Cs3 93.9(3) 2_655 2_545 ?
In5 O30 Cs3 93.9(3) 2_655 2_545 ?
Na14 O30 Cs3 82.0(2) . 2_545 ?
Mo8 O31 Na4 141.1(5) . 2 ?
Mo8 O31 In4 141.1(5) . 2 ?
Na4 O31 In4 0.00(7) 2 2 ?
Mo8 O31 Cs4 108.4(4) . . ?
Na4 O31 Cs4 105.2(3) 2 . ?
In4 O31 Cs4 105.2(3) 2 . ?
Mo8 O31 Cs3 105.2(4) . 2_545 ?
Na4 O31 Cs3 95.0(3) 2 2_545 ?
In4 O31 Cs3 95.0(3) 2 2_545 ?
Cs4 O31 Cs3 87.9(2) . 2_545 ?
Mo8 O32 Na1 145.1(5) . 3_666 ?
Mo8 O32 In1 145.1(5) . 3_666 ?
Na1 O32 In1 0.00(4) 3_666 3_666 ?
Mo8 O32 Na8 110.1(4) . . ?
Na1 O32 Na8 97.9(3) 3_666 . ?
In1 O32 Na8 97.9(3) 3_666 . ?
Mo8 O32 Cs4 86.2(3) . . ?
Na1 O32 Cs4 80.8(2) 3_666 . ?
In1 O32 Cs4 80.8(2) 3_666 . ?
Na8 O32 Cs4 147.2(3) . . ?
Mo9 O33 Na5 122.3(4) . 3_666 ?
Mo9 O33 In5 122.3(4) . 3_666 ?
Na5 O33 In5 0.0(2) 3_666 3_666 ?
Mo9 O33 Na12 127.3(4) . 4_576 ?
Na5 O33 Na12 105.4(3) 3_666 4_576 ?
In5 O33 Na12 105.4(3) 3_666 4_576 ?
Mo9 O33 Cs3 105.8(3) . 4_576 ?
Na5 O33 Cs3 87.3(3) 3_666 4_576 ?
In5 O33 Cs3 87.3(3) 3_666 4_576 ?
Na12 O33 Cs3 97.0(3) 4_576 4_576 ?
Mo9 O34 Na3 128.9(4) . 4_566 ?
Mo9 O34 In3 128.9(4) . 4_566 ?
Na3 O34 In3 0.00(8) 4_566 4_566 ?
Mo9 O34 Na13 88.9(3) . 4_576 ?
Na3 O34 Na13 125.5(4) 4_566 4_576 ?
In3 O34 Na13 125.5(4) 4_566 4_576 ?
Mo9 O34 Cs2 114.4(4) . 4_576 ?
Na3 O34 Cs2 102.5(3) 4_566 4_576 ?
In3 O34 Cs2 102.5(3) 4_566 4_576 ?
Na13 O34 Cs2 91.3(2) 4_576 4_576 ?
Mo9 O35 Na4 121.7(4) . 4_566 ?
Mo9 O35 In4 121.7(4) . 4_566 ?
Na4 O35 In4 0.00(9) 4_566 4_566 ?
Mo9 O35 Na10 115.7(4) . 3_666 ?
Na4 O35 Na10 99.4(3) 4_566 3_666 ?
In4 O35 Na10 99.4(3) 4_566 3_666 ?
Mo9 O35 Cs3 92.5(3) . 4_576 ?
Na4 O35 Cs3 83.2(2) 4_566 4_576 ?
In4 O35 Cs3 83.2(2) 4_566 4_576 ?
Na10 O35 Cs3 143.3(3) 3_666 4_576 ?
Mo9 O35 Cs4 149.1(4) . 3_566 ?
Na4 O35 Cs4 83.5(2) 4_566 3_566 ?
In4 O35 Cs4 83.5(2) 4_566 3_566 ?
Na10 O35 Cs4 72.3(2) 3_666 3_566 ?
Cs3 O35 Cs4 71.61(17) 4_576 3_566 ?
Mo9 O36 Na2 126.1(4) . 3_666 ?
Mo9 O36 In2 126.1(4) . 3_666 ?
Na2 O36 In2 0.00(7) 3_666 3_666 ?
Mo9 O36 Na13 99.4(3) . 4_576 ?
Na2 O36 Na13 134.5(4) 3_666 4_576 ?
In2 O36 Na13 134.5(4) 3_666 4_576 ?
Mo10 O37 In6 127.8(4) . . ?
Mo10 O37 Na16 111.9(4) . 3_666 ?
In6 O37 Na16 119.9(4) . 3_666 ?
Mo10 O37 Na16 97.9(4) . . ?
In6 O37 Na16 131.5(4) . . ?
Na16 O37 Na16 17.1(4) 3_666 . ?
Mo10 O38 Na8 125.7(4) . . ?
Mo10 O38 Na13 113.0(4) . 2_645 ?
Na8 O38 Na13 113.7(4) . 2_645 ?
Mo10 O38 Na16 91.3(4) . . ?
Na8 O38 Na16 122.3(4) . . ?
Na13 O38 Na16 80.2(4) 2_645 . ?
Mo10 O39 Na7 128.3(4) . . ?
Mo10 O39 Na14 122.8(4) . . ?
Na7 O39 Na14 99.4(3) . . ?
Mo10 O39 Cs4 99.0(3) . . ?
Na7 O39 Cs4 80.7(2) . . ?
Na14 O39 Cs4 120.6(3) . . ?
Mo10 O40 Na1 125.6(4) . 3_666 ?
Mo10 O40 In1 125.6(4) . 3_666 ?
Na1 O40 In1 0.00(5) 3_666 3_666 ?
Mo10 O40 Na10 107.1(4) . 3_666 ?
Na1 O40 Na10 109.3(3) 3_666 3_666 ?
In1 O40 Na10 109.3(3) 3_666 3_666 ?
Mo10 O40 Cs4 96.4(3) . . ?
Na1 O40 Cs4 91.1(3) 3_666 . ?
In1 O40 Cs4 91.1(3) 3_666 . ?
Na10 O40 Cs4 128.6(3) 3_666 . ?
Mo11 O41 Na5 129.8(6) . 2_655 ?
Mo11 O41 In5 129.8(6) . 2_655 ?
Na5 O41 In5 0.00(19) 2_655 2_655 ?
Mo11 O41 Cs3 119.0(4) . 2_545 ?
Na5 O41 Cs3 101.5(3) 2_655 2_545 ?
In5 O41 Cs3 101.5(3) 2_655 2_545 ?
Mo11 O42 In4 123.4(4) . . ?
Mo11 O42 Na11 105.5(4) . 2_545 ?
In4 O42 Na11 129.9(4) . 2_545 ?
Mo11 O43 Na2 125.3(4) . 2_655 ?
Mo11 O43 In2 125.3(4) . 2_655 ?
Na2 O43 In2 0.00(5) 2_655 2_655 ?
Mo11 O43 Na9 107.1(4) . 2_645 ?
Na2 O43 Na9 104.6(3) 2_655 2_645 ?
In2 O43 Na9 104.6(3) 2_655 2_645 ?
Mo11 O43 Cs2 94.0(3) . 2_645 ?
Na2 O43 Cs2 86.2(2) 2_655 2_645 ?
In2 O43 Cs2 86.2(2) 2_655 2_645 ?
Na9 O43 Cs2 142.9(3) 2_645 2_645 ?
Mo11 O43 Cs1 149.3(4) . 2_645 ?
Na2 O43 Cs1 82.7(2) 2_655 2_645 ?
In2 O43 Cs1 82.7(2) 2_655 2_645 ?
Na9 O43 Cs1 72.7(2) 2_645 2_645 ?
Cs2 O43 Cs1 73.72(16) 2_645 2_645 ?
Mo11 O44 In3 122.1(4) . . ?
Mo11 O44 Na14 119.3(4) . . ?
In3 O44 Na14 114.6(3) . . ?
Mo11 O44 Cs2 102.4(3) . 2_645 ?
In3 O44 Cs2 91.4(3) . 2_645 ?
Na14 O44 Cs2 96.0(3) . 2_645 ?
Mo12 O45 Na7 128.1(5) . 2_655 ?
Mo12 O45 Na11 109.7(4) . 2_645 ?
Na7 O45 Na11 109.1(4) 2_655 2_645 ?
Mo12 O45 Na15 94.5(5) . 2_655 ?
Na7 O45 Na15 123.7(5) 2_655 2_655 ?
Na11 O45 Na15 82.4(4) 2_645 2_655 ?
Mo12 O46 Na8 124.3(4) . 2_645 ?
Mo12 O46 Na12 124.3(4) . 2_645 ?
Na8 O46 Na12 98.8(3) 2_645 2_645 ?
Mo12 O46 Cs1 99.1(3) . 2_645 ?
Na8 O46 Cs1 83.6(3) 2_645 2_645 ?
Na12 O46 Cs1 121.2(3) 2_645 2_645 ?
Mo12 O47 Na6 122.5(4) . 2_655 ?
Mo12 O47 In6 122.5(4) . 2_655 ?
Na6 O47 In6 0.0(2) 2_655 2_655 ?
Mo12 O47 Na9 117.7(4) . 4_575 ?
Na6 O47 Na9 97.7(3) 2_655 4_575 ?
In6 O47 Na9 97.7(3) 2_655 4_575 ?
Mo12 O47 Cs1 98.5(3) . 2_645 ?
Na6 O47 Cs1 84.6(2) 2_655 2_645 ?
In6 O47 Cs1 84.6(2) 2_655 2_645 ?
Na9 O47 Cs1 133.6(3) 4_575 2_645 ?
Mo12 O48 Na1 126.3(4) . 4_565 ?
Mo12 O48 In1 126.3(4) . 4_565 ?
Na1 O48 In1 0.00(6) 4_565 4_565 ?
Mo12 O48 Na15 104.5(5) . 4_665 ?
Na1 O48 Na15 128.2(5) 4_565 4_665 ?
In1 O48 Na15 128.2(5) 4_565 4_665 ?
Mo12 O48 Na15 94.0(4) . 2_655 ?
Na1 O48 Na15 139.7(5) 4_565 2_655 ?
In1 O48 Na15 139.7(5) 4_565 2_655 ?
Na15 O48 Na15 17.0(5) 4_665 2_655 ?

_diffrn_measured_fraction_theta_max 0.950
_diffrn_reflns_theta_full        27.57
_diffrn_measured_fraction_theta_full 0.950
_refine_diff_density_max         1.321
_refine_diff_density_min         -4.473
_refine_diff_density_rms         0.289
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cs8Mo24Na25Sc5O96
_database_code_depnum_ccdc_archive 'CCDC 1521741'
_audit_update_record             
;
2016-12-09 deposited with the CCDC.
2017-05-15 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Sc5 Mo24 O96, 8(Cs), 25(Na)'
_chemical_formula_sum            'Cs8 Mo24 Na25 O96 Sc5'
_chemical_formula_weight         5701.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.2519 0.3716 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.0069(3)
_cell_length_b                   12.6498(3)
_cell_length_c                   28.6491(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.0070(10)
_cell_angle_gamma                90.00
_cell_volume                     5076.18(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    33939
_cell_measurement_theta_min      1.42
_cell_measurement_theta_max      29.61

_exptl_crystal_description       fragment
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5192
_exptl_crystal_F_000'            5379.91
_exptl_absorpt_coefficient_mu    6.212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6703
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min' 0.606
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker-Nonius X8 APEX CCD diffractometer'
_diffrn_measurement_method       'φ scans, frame data integration'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            33939
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         29.61
_reflns_number_total             14265
_reflns_number_gt                12997
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0274P)²+21.5998P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         14265
_refine_ls_number_parameters     728
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0308
_refine_ls_wR_factor_ref         0.0727
_refine_ls_wR_factor_gt          0.0688
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.48727(3) 0.98108(3) 0.432226(17) 0.02608(9) Uani 1 1 d . . .
Cs2 Cs 0.50603(4) 0.95377(4) 0.28253(2) 0.03690(12) Uani 1 1 d . . .
Cs3 Cs 0.00867(4) 0.95015(4) 0.215800(19) 0.03035(10) Uani 1 1 d . . .
Cs4 Cs 0.00611(4) 0.46959(4) 0.431750(17) 0.02877(10) Uani 1 1 d . . .
Mo1 Mo 0.60185(4) 0.18473(4) 0.21950(2) 0.01749(11) Uani 1 1 d . . .
Mo2 Mo 0.10938(4) 0.18166(4) 0.279731(19) 0.01529(10) Uani 1 1 d . . .
Mo3 Mo 0.61231(4) 0.24187(5) 0.471285(19) 0.01580(10) Uani 1 1 d . . .
Mo4 Mo 0.38968(4) 0.20063(5) 0.347205(19) 0.01637(11) Uani 1 1 d . . .
Mo5 Mo 0.61247(4) 0.72625(4) 0.396559(19) 0.01528(10) Uani 1 1 d . . .
Mo6 Mo 0.10279(4) 0.26485(4) 0.52728(2) 0.01580(10) Uani 1 1 d . . .
Mo7 Mo 0.88169(4) 0.21549(4) 0.398102(19) 0.01506(10) Uani 1 1 d . . .
Mo8 Mo 0.11154(4) 0.69466(4) 0.350965(19) 0.01548(11) Uani 1 1 d . . .
Mo9 Mo 0.28441(4) 0.56432(4) 0.68396(2) 0.01512(10) Uani 1 1 d . . .
Mo10 Mo 0.28498(4) 0.48102(4) 0.44278(2) 0.01539(10) Uani 1 1 d . . .
Mo11 Mo 0.22201(4) 0.43293(5) 0.18662(2) 0.01916(12) Uani 1 1 d . . .
Mo12 Mo 0.79029(4) 0.47039(4) 0.05627(2) 0.01503(10) Uani 1 1 d . . .
Sc1 Sc 0.83804(9) 0.29014(10) 0.52000(4) 0.0097(2) Uani 0.7918(18) 1 d P . .
Na1 Na 0.83804(9) 0.29014(10) 0.52000(4) 0.0097(2) Uani 0.21 1 d P . .
Sc2 Sc 0.65527(11) 0.17249(12) 0.34880(5) 0.0114(4) Uani 0.538(5) 1 d P . .
Na2 Na 0.65527(11) 0.17249(12) 0.34880(5) 0.0114(4) Uani 0.46 1 d P . .
Sc3 Sc 0.33067(10) 0.19562(12) 0.22798(5) 0.0124(4) Uani 0.580(5) 1 d P . .
Na3 Na 0.33067(10) 0.19562(12) 0.22798(5) 0.0124(4) Uani 0.42 1 d P . .
Sc4 Sc 0.15663(15) 0.17356(17) 0.14868(7) 0.0166(6) Uani 0.242(5) 1 d P . .
Na4 Na 0.15663(15) 0.17356(17) 0.14868(7) 0.0166(6) Uani 0.76 1 d P . .
Sc5 Sc 0.83103(18) 0.1987(2) 0.26752(9) 0.0217(8) Uani 0.097(5) 1 d P . .
Na5 Na 0.83103(18) 0.1987(2) 0.26752(9) 0.0217(8) Uani 0.90 1 d P . .
Sc6 Sc 0.33561(17) 0.21187(19) 0.48025(8) 0.0249(6) Uani 0.251(4) 1 d P . .
Na6 Na 0.33561(17) 0.21187(19) 0.48025(8) 0.0249(6) Uani 0.75 1 d P . .
Na7 Na 0.15861(19) 0.2370(2) 0.39485(10) 0.0209(6) Uani 1 1 d . . .
Na8 Na 0.34087(19) 0.7409(2) 0.39466(10) 0.0180(5) Uani 1 1 d . . .
Na9 Na 0.7636(2) 0.9683(3) 0.43321(12) 0.0336(8) Uani 1 1 d . . .
Na10 Na 0.7337(2) 0.4917(3) 0.43834(12) 0.0376(8) Uani 1 1 d . . .
Na11 Na 0.0014(2) 0.9673(3) 0.36827(13) 0.0369(8) Uani 1 1 d . . .
Na12 Na 0.2315(2) 0.9387(3) 0.31491(10) 0.0251(6) Uani 1 1 d . . .
Na13 Na 0.5026(2) 0.9727(3) 0.12860(13) 0.0405(9) Uani 1 1 d . . .
Na14 Na 0.2660(2) 0.4430(3) 0.31504(11) 0.0261(6) Uani 1 1 d . . .
Na15 Na -0.0069(8) 0.0147(9) 0.4899(3) 0.037(2) Uani 0.50 1 d P . .
Na16 Na 0.5054(7) 0.5180(7) 0.4898(3) 0.033(2) Uani 0.50 1 d P . .
O1 O 0.5989(4) 0.0699(4) 0.1861(2) 0.0315(12) Uani 1 1 d . . .
O2 O 0.6570(4) 0.2884(4) 0.18919(18) 0.0263(11) Uani 1 1 d . . .
O3 O 0.6631(4) 0.1561(4) 0.27218(19) 0.0277(11) Uani 1 1 d . . .
O4 O 0.4822(4) 0.2226(4) 0.23370(19) 0.0294(12) Uani 1 1 d . . .
O5 O -0.0050(4) 0.2158(4) 0.26191(18) 0.0258(10) Uani 1 1 d . . .
O6 O 0.1560(4) 0.2876(4) 0.31159(18) 0.0251(11) Uani 1 1 d . . .
O7 O 0.1035(4) 0.0662(4) 0.31343(19) 0.0299(12) Uani 1 1 d . . .
O8 O 0.1787(4) 0.1562(4) 0.22706(18) 0.0265(11) Uani 1 1 d . . .
O9 O 0.5952(4) 0.3727(4) 0.45449(19) 0.0289(12) Uani 1 1 d . . .
O10 O 0.5030(4) 0.1866(4) 0.48736(18) 0.0265(11) Uani 1 1 d . . .
O11 O 0.6590(4) 0.1627(5) 0.4260(2) 0.0313(12) Uani 1 1 d . . .
O12 O 0.6910(3) 0.2385(4) 0.52054(17) 0.0238(10) Uani 1 1 d . . .
O13 O 0.3260(4) 0.1800(4) 0.39881(18) 0.0302(12) Uani 1 1 d . . .
O14 O 0.4004(4) 0.3363(4) 0.3372(2) 0.0336(13) Uani 1 1 d . . .
O15 O 0.3289(4) 0.1368(5) 0.3002(2) 0.0379(15) Uani 1 1 d . . .
O16 O 0.5040(4) 0.1393(4) 0.35314(17) 0.0256(11) Uani 1 1 d . . .
O17 O 0.5007(4) 0.7775(4) 0.38172(17) 0.0270(11) Uani 1 1 d . . .
O18 O 0.6002(4) 0.5959(4) 0.41661(19) 0.0273(11) Uani 1 1 d . . .
O19 O 0.6621(4) 0.8112(4) 0.43861(17) 0.0247(11) Uani 1 1 d . . .
O20 O 0.6868(4) 0.7266(4) 0.34545(17) 0.0252(11) Uani 1 1 d . . .
O21 O 0.1655(4) 0.2730(5) 0.47511(19) 0.0356(13) Uani 1 1 d . . .
O22 O 0.0939(4) 0.1336(4) 0.5446(2) 0.0324(13) Uani 1 1 d . . .
O23 O 0.1615(4) 0.3438(5) 0.5689(2) 0.0287(12) Uani 1 1 d . . .
O24 O -0.0150(4) 0.3201(4) 0.51803(17) 0.0249(10) Uani 1 1 d . . .
O25 O 0.9927(4) 0.2642(4) 0.38213(18) 0.0277(11) Uani 1 1 d . . .
O26 O 0.8946(4) 0.0833(4) 0.41351(19) 0.0291(12) Uani 1 1 d . . .
O27 O 0.8054(4) 0.2236(4) 0.34869(17) 0.0261(11) Uani 1 1 d . . .
O28 O 0.8374(3) 0.2946(4) 0.44575(17) 0.0226(10) Uani 1 1 d . . .
O29 O 0.0995(4) 0.8261(4) 0.33461(19) 0.0275(11) Uani 1 1 d . . .
O30 O 0.1766(4) 0.6218(5) 0.30988(19) 0.0334(13) Uani 1 1 d . . .
O31 O -0.0007(4) 0.6345(4) 0.35555(18) 0.0280(11) Uani 1 1 d . . .
O32 O 0.1716(4) 0.6870(4) 0.40628(18) 0.0269(11) Uani 1 1 d . . .
O33 O 0.2203(4) 0.6177(4) 0.73059(17) 0.0244(10) Uani 1 1 d . . .
O34 O 0.3597(4) 0.4646(5) 0.7057(2) 0.0351(13) Uani 1 1 d . . .
O35 O 0.2036(4) 0.5105(5) 0.64308(19) 0.0324(12) Uani 1 1 d . . .
O36 O 0.3633(4) 0.6558(5) 0.6567(2) 0.0324(13) Uani 1 1 d . . .
O37 O 0.3526(4) 0.3910(4) 0.4746(2) 0.0332(13) Uani 1 1 d . . .
O38 O 0.3695(4) 0.5671(4) 0.4194(2) 0.0304(12) Uani 1 1 d . . .
O39 O 0.2198(4) 0.4223(4) 0.39723(16) 0.0238(10) Uani 1 1 d . . .
O40 O 0.2056(4) 0.5485(4) 0.48337(16) 0.0209(9) Uani 1 1 d . . .
O41 O 0.1475(5) 0.5245(5) 0.2131(3) 0.060(2) Uani 1 1 d . . .
O42 O 0.1432(4) 0.3549(5) 0.1547(2) 0.0351(14) Uani 1 1 d . . .
O43 O 0.3029(4) 0.4989(5) 0.14797(19) 0.0328(12) Uani 1 1 d . . .
O44 O 0.2863(4) 0.3651(5) 0.23200(18) 0.0342(13) Uani 1 1 d . . .
O45 O 0.8735(4) 0.5603(4) 0.0778(2) 0.0315(12) Uani 1 1 d . . .
O46 O 0.7231(4) 0.4194(4) 0.10259(16) 0.0212(10) Uani 1 1 d . . .
O47 O 0.7120(4) 0.5298(4) 0.01510(17) 0.0210(10) Uani 1 1 d . . .
O48 O 0.8637(3) 0.3724(4) 0.02735(18) 0.0244(10) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 O17 2.960(5) . ?
Cs1 O16 3.032(5) 1_565 ?
Cs1 O10 3.050(5) 1_565 ?
Cs1 O10 3.134(5) 3_666 ?
Cs1 O46 3.207(5) 2_655 ?
Cs1 O47 3.233(5) 2_655 ?
Cs1 O19 3.263(5) . ?
Cs1 O11 3.331(6) 1_565 ?
Cs1 O13 3.513(6) 1_565 ?
Cs1 O43 3.737(5) 2_655 ?
Cs2 O4 2.966(5) 2_655 ?
Cs2 O16 3.098(5) 1_565 ?
Cs2 O44 3.145(6) 2_655 ?
Cs2 O34 3.180(6) 4_575 ?
Cs2 O2 3.201(6) 2_655 ?
Cs2 O43 3.384(6) 2_655 ?
Cs2 O3 3.388(5) 1_565 ?
Cs2 O1 3.389(6) 1_565 ?
Cs2 O15 3.431(6) 1_565 ?
Cs2 O17 3.613(5) . ?
Cs2 O4 3.692(5) 1_565 ?
Cs3 O5 3.033(5) 2 ?
Cs3 O31 3.103(5) 2 ?
Cs3 O33 3.115(5) 4_575 ?
Cs3 O41 3.133(6) 2 ?
Cs3 O6 3.188(5) 2 ?
Cs3 O7 3.427(6) 1_565 ?
Cs3 O30 3.463(6) 2 ?
Cs3 O35 3.470(6) 4_575 ?
Cs3 O8 3.546(5) 1_565 ?
Cs3 O5 3.616(5) 1_565 ?
Cs3 O25 3.661(5) 2_655 ?
Cs4 O25 2.968(5) 1_455 ?
Cs4 O31 3.021(5) . ?
Cs4 O24 3.027(5) 3_566 ?
Cs4 O24 3.126(5) . ?
Cs4 O39 3.208(5) . ?
Cs4 O28 3.263(5) 1_455 ?
Cs4 O40 3.315(5) . ?
Cs4 O23 3.329(5) 3_566 ?
Cs4 O21 3.565(6) . ?
Cs4 O35 3.645(5) 3_566 ?
Cs4 O32 3.670(5) . ?
Mo1 O1 1.741(5) . ?
Mo1 O2 1.752(5) . ?
Mo1 O3 1.773(6) . ?
Mo1 O4 1.790(5) . ?
Mo2 O5 1.736(5) . ?
Mo2 O6 1.748(5) . ?
Mo2 O7 1.752(5) . ?
Mo2 O8 1.823(5) . ?
Mo3 O9 1.740(5) . ?
Mo3 O10 1.745(5) . ?
Mo3 O11 1.764(5) . ?
Mo3 O12 1.791(5) . ?
Mo4 O13 1.746(5) . ?
Mo4 O14 1.747(5) . ?
Mo4 O15 1.785(5) . ?
Mo4 O16 1.788(5) . ?
Mo5 O17 1.747(5) . ?
Mo5 O18 1.755(5) . ?
Mo5 O19 1.758(5) . ?
Mo5 O20 1.796(5) . ?
Mo6 O21 1.736(5) . ?
Mo6 O22 1.738(5) . ?
Mo6 O23 1.759(5) . ?
Mo6 O24 1.811(5) . ?
Mo7 O25 1.733(5) . ?
Mo7 O26 1.739(5) . ?
Mo7 O27 1.776(5) . ?
Mo7 O28 1.802(5) . ?
Mo8 O29 1.736(5) . ?
Mo8 O30 1.751(5) . ?
Mo8 O31 1.752(5) . ?
Mo8 O32 1.797(5) . ?
Mo9 O33 1.746(5) . ?
Mo9 O34 1.758(6) . ?
Mo9 O35 1.765(5) . ?
Mo9 O36 1.780(6) . ?
Mo10 O37 1.739(5) . ?
Mo10 O38 1.742(5) . ?
Mo10 O39 1.758(5) . ?
Mo10 O40 1.821(5) . ?
Mo11 O41 1.735(6) . ?
Mo11 O42 1.741(6) . ?
Mo11 O43 1.791(6) . ?
Mo11 O44 1.799(6) . ?
Mo12 O45 1.742(5) . ?
Mo12 O46 1.750(5) . ?
Mo12 O47 1.777(5) . ?
Mo12 O48 1.811(5) . ?
Sc1 O24 2.094(5) 1_655 ?
Sc1 O48 2.097(5) 4_566 ?
Sc1 O28 2.128(5) . ?
Sc1 O40 2.133(5) 3_666 ?
Sc1 O32 2.136(5) 3_666 ?
Sc1 O12 2.161(5) . ?
Sc2 O16 2.163(6) . ?
Sc2 O36 2.194(6) 3_666 ?
Sc2 O27 2.201(5) . ?
Sc2 O3 2.208(6) . ?
Sc2 O11 2.217(6) . ?
Sc2 O43 2.274(7) 2_645 ?
Sc3 O20 2.154(5) 2_645 ?
Sc3 O4 2.156(6) . ?
Sc3 O34 2.164(6) 4_565 ?
Sc3 O8 2.186(5) . ?
Sc3 O15 2.200(6) . ?
Sc3 O44 2.235(6) . ?
Sc4 O31 2.243(6) 2_545 ?
Sc4 O8 2.277(6) . ?
Sc4 O23 2.297(6) 4_565 ?
Sc4 O20 2.300(6) 2_645 ?
Sc4 O42 2.308(6) . ?
Sc4 O35 2.425(7) 4_565 ?
Sc5 O41 2.292(6) 2_645 ?
Sc5 O5 2.313(6) 1_655 ?
Sc5 O27 2.374(6) . ?
Sc5 O3 2.417(6) . ?
Sc5 O30 2.424(6) 2_645 ?
Sc5 O33 2.432(6) 3_666 ?
Sc6 O37 2.284(6) . ?
Sc6 O19 2.343(5) 3_666 ?
Sc6 O13 2.372(6) . ?
Sc6 O10 2.375(6) . ?
Sc6 O47 2.401(5) 2_645 ?
Sc6 O21 2.510(6) . ?
Na7 O21 2.346(6) . ?
Na7 O25 2.378(6) 1_455 ?
Na7 O45 2.410(6) 2_645 ?
Na7 O13 2.456(7) . ?
Na7 O6 2.470(6) . ?
Na7 O39 2.497(6) . ?
Na8 O17 2.316(6) . ?
Na8 O38 2.345(6) . ?
Na8 O46 2.431(5) 2_655 ?
Na8 O2 2.476(6) 2_655 ?
Na8 O12 2.484(6) 3_666 ?
Na8 O32 2.489(6) . ?
Na9 O26 2.409(6) 1_565 ?
Na9 O19 2.448(6) . ?
Na9 O47 2.455(6) 4_576 ?
Na9 O22 2.460(7) 3_666 ?
Na9 O43 2.535(7) 2_655 ?
Na9 O11 2.869(7) 1_565 ?
Na10 O18 2.371(6) . ?
Na10 O40 2.451(6) 3_666 ?
Na10 O35 2.493(6) 3_666 ?
Na10 O9 2.499(6) . ?
Na10 O23 2.555(7) 3_666 ?
Na10 O28 2.893(6) . ?
Na11 O29 2.450(6) . ?
Na11 O26 2.464(6) 1_465 ?
Na11 O7 2.466(6) 1_565 ?
Na11 O42 2.561(6) 2 ?
Na11 O45 2.615(7) 2_655 ?
Na12 O29 2.401(6) . ?
Na12 O7 2.413(6) 1_565 ?
Na12 O46 2.460(6) 2_655 ?
Na12 O2 2.464(6) 2_655 ?
Na12 O33 2.524(6) 4_575 ?
Na12 O15 2.884(7) 1_565 ?
Na13 O14 2.406(7) 2_655 ?
Na13 O1 2.458(7) 1_565 ?
Na13 O18 2.485(6) 2_655 ?
Na13 O38 2.555(6) 2_655 ?
Na13 O36 2.664(6) 4_575 ?
Na14 O14 2.401(6) . ?
Na14 O39 2.456(6) . ?
Na14 O1 2.481(6) 2_655 ?
Na14 O6 2.500(6) . ?
Na14 O30 2.590(7) . ?
Na14 O44 2.591(6) . ?
Na15 O22 2.445(13) 3_556 ?
Na15 O48 2.545(13) 4_466 ?
Na15 O22 2.591(12) . ?
Na15 O26 2.728(9) 1_455 ?
Na15 O48 2.741(13) 2_645 ?
Na15 O45 2.756(12) 2_645 ?
Na16 O9 2.446(11) . ?
Na16 O37 2.515(12) 3_666 ?
Na16 O9 2.540(11) 3_666 ?
Na16 O18 2.669(9) . ?
Na16 O37 2.712(11) . ?
Na16 O38 2.841(11) . ?

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
_geom_angle_publ_flag
O17 Cs1 O16 101.77(14) . 1_565 ?
O17 Cs1 O10 171.97(14) . 1_565 ?
O16 Cs1 O10 79.57(13) 1_565 1_565 ?
O17 Cs1 O10 76.58(14) . 3_666 ?
O16 Cs1 O10 172.96(14) 1_565 3_666 ?
O10 Cs1 O10 101.12(12) 1_565 3_666 ?
O17 Cs1 O46 72.23(13) . 2_655 ?
O16 Cs1 O46 89.96(13) 1_565 2_655 ?
O10 Cs1 O46 115.77(13) 1_565 2_655 ?
O10 Cs1 O46 95.97(13) 3_666 2_655 ?
O17 Cs1 O47 116.68(13) . 2_655 ?
O16 Cs1 O47 106.86(13) 1_565 2_655 ?
O10 Cs1 O47 70.00(13) 1_565 2_655 ?
O10 Cs1 O47 79.83(12) 3_666 2_655 ?
O46 Cs1 O47 53.00(12) 2_655 2_655 ?
O17 Cs1 O19 53.62(13) . . ?
O16 Cs1 O19 114.72(13) 1_565 . ?
O10 Cs1 O19 118.55(13) 1_565 . ?
O10 Cs1 O19 58.71(12) 3_666 . ?
O46 Cs1 O19 123.15(12) 2_655 . ?
O47 Cs1 O19 138.37(12) 2_655 . ?
O17 Cs1 O11 121.87(13) . 1_565 ?
O16 Cs1 O11 56.57(15) 1_565 1_565 ?
O10 Cs1 O11 52.24(13) 1_565 1_565 ?
O10 Cs1 O11 118.32(14) 3_666 1_565 ?
O46 Cs1 O11 144.56(14) 2_655 1_565 ?
O47 Cs1 O11 121.13(12) 2_655 1_565 ?
O19 Cs1 O11 85.12(13) . 1_565 ?
O17 Cs1 O13 122.05(14) . 1_565 ?
O16 Cs1 O13 51.22(13) 1_565 1_565 ?
O10 Cs1 O13 64.99(13) 1_565 1_565 ?
O10 Cs1 O13 135.45(13) 3_666 1_565 ?
O46 Cs1 O13 59.92(13) 2_655 1_565 ?
O47 Cs1 O13 55.64(12) 2_655 1_565 ?
O19 Cs1 O13 165.73(12) . 1_565 ?
O11 Cs1 O13 87.48(14) 1_565 1_565 ?
O17 Cs1 O43 72.67(13) . 2_655 ?
O16 Cs1 O43 55.92(14) 1_565 2_655 ?
O10 Cs1 O43 102.13(13) 1_565 2_655 ?
O10 Cs1 O43 117.30(13) 3_666 2_655 ?
O46 Cs1 O43 123.10(12) 2_655 2_655 ?
O47 Cs1 O43 162.66(13) 2_655 2_655 ?
O19 Cs1 O43 58.94(13) . 2_655 ?
O11 Cs1 O43 50.02(13) 1_565 2_655 ?
O13 Cs1 O43 107.14(13) 1_565 2_655 ?
O4 Cs2 O16 148.17(14) 2_655 1_565 ?
O4 Cs2 O44 64.92(16) 2_655 2_655 ?
O16 Cs2 O44 111.40(15) 1_565 2_655 ?
O4 Cs2 O34 104.33(15) 2_655 4_575 ?
O16 Cs2 O34 101.56(14) 1_565 4_575 ?
O44 Cs2 O34 128.32(15) 2_655 4_575 ?
O4 Cs2 O2 55.59(13) 2_655 2_655 ?
O16 Cs2 O2 108.86(13) 1_565 2_655 ?
O44 Cs2 O2 117.38(14) 2_655 2_655 ?
O34 Cs2 O2 85.87(14) 4_575 2_655 ?
O4 Cs2 O43 102.40(16) 2_655 2_655 ?
O16 Cs2 O43 59.67(14) 1_565 2_655 ?
O44 Cs2 O43 53.62(14) 2_655 2_655 ?
O34 Cs2 O43 149.55(15) 4_575 2_655 ?
O2 Cs2 O43 121.69(14) 2_655 2_655 ?
O4 Cs2 O3 134.03(14) 2_655 1_565 ?
O16 Cs2 O3 59.39(14) 1_565 1_565 ?
O44 Cs2 O3 69.97(15) 2_655 1_565 ?
O34 Cs2 O3 96.46(14) 4_575 1_565 ?
O2 Cs2 O3 168.25(13) 2_655 1_565 ?
O43 Cs2 O3 53.88(14) 2_655 1_565 ?
O4 Cs2 O1 106.15(13) 2_655 1_565 ?
O16 Cs2 O1 101.98(13) 1_565 1_565 ?
O44 Cs2 O1 72.04(14) 2_655 1_565 ?
O34 Cs2 O1 62.75(15) 4_575 1_565 ?
O2 Cs2 O1 139.77(13) 2_655 1_565 ?
O43 Cs2 O1 95.91(13) 2_655 1_565 ?
O3 Cs2 O1 49.61(13) 1_565 1_565 ?
O4 Cs2 O15 136.79(15) 2_655 1_565 ?
O16 Cs2 O15 52.11(13) 1_565 1_565 ?
O44 Cs2 O15 158.27(16) 2_655 1_565 ?
O34 Cs2 O15 54.36(14) 4_575 1_565 ?
O2 Cs2 O15 83.56(14) 2_655 1_565 ?
O43 Cs2 O15 111.77(14) 2_655 1_565 ?
O3 Cs2 O15 88.43(14) 1_565 1_565 ?
O1 Cs2 O15 96.07(14) 1_565 1_565 ?
O4 Cs2 O17 61.05(13) 2_655 . ?
O16 Cs2 O17 87.34(12) 1_565 . ?
O44 Cs2 O17 84.44(13) 2_655 . ?
O34 Cs2 O17 137.02(14) 4_575 . ?
O2 Cs2 O17 51.88(12) 2_655 . ?
O43 Cs2 O17 69.99(13) 2_655 . ?
O3 Cs2 O17 123.27(12) 1_565 . ?
O1 Cs2 O17 156.46(12) 1_565 . ?
O15 Cs2 O17 106.56(13) 1_565 . ?
O4 Cs2 O4 148.63(4) 2_655 1_565 ?
O16 Cs2 O4 63.20(12) 1_565 1_565 ?
O44 Cs2 O4 111.22(14) 2_655 1_565 ?
O34 Cs2 O4 51.71(14) 4_575 1_565 ?
O2 Cs2 O4 129.31(12) 2_655 1_565 ?
O43 Cs2 O4 97.98(14) 2_655 1_565 ?
O3 Cs2 O4 47.91(13) 1_565 1_565 ?
O1 Cs2 O4 47.67(12) 1_565 1_565 ?
O15 Cs2 O4 50.89(13) 1_565 1_565 ?
O17 Cs2 O4 149.83(12) . 1_565 ?
O5 Cs3 O31 150.77(14) 2 2 ?
O5 Cs3 O33 73.63(13) 2 4_575 ?
O31 Cs3 O33 109.32(13) 2 4_575 ?
O5 Cs3 O41 98.33(14) 2 2 ?
O31 Cs3 O41 100.21(15) 2 2 ?
O33 Cs3 O41 131.21(19) 4_575 2 ?
O5 Cs3 O6 53.77(13) 2 2 ?
O31 Cs3 O6 107.26(14) 2 2 ?
O33 Cs3 O6 122.96(13) 4_575 2 ?
O41 Cs3 O6 81.30(17) 2 2 ?
O5 Cs3 O7 104.70(13) 2 1_565 ?
O31 Cs3 O7 103.27(13) 2 1_565 ?
O33 Cs3 O7 68.81(13) 4_575 1_565 ?
O41 Cs3 O7 67.12(19) 2 1_565 ?
O6 Cs3 O7 139.26(12) 2 1_565 ?
O5 Cs3 O30 130.15(14) 2 2 ?
O31 Cs3 O30 50.35(13) 2 2 ?
O33 Cs3 O30 156.19(13) 4_575 2 ?
O41 Cs3 O30 55.01(17) 2 2 ?
O6 Cs3 O30 79.05(13) 2 2 ?
O7 Cs3 O30 101.25(13) 1_565 2 ?
O5 Cs3 O35 106.26(14) 2 4_575 ?
O31 Cs3 O35 61.64(13) 2 4_575 ?
O33 Cs3 O35 51.13(12) 4_575 4_575 ?
O41 Cs3 O35 153.68(15) 2 4_575 ?
O6 Cs3 O35 120.92(13) 2 4_575 ?
O7 Cs3 O35 97.11(13) 1_565 4_575 ?
O30 Cs3 O35 111.85(13) 2 4_575 ?
O5 Cs3 O8 135.31(13) 2 1_565 ?
O31 Cs3 O8 62.06(14) 2 1_565 ?
O33 Cs3 O8 63.32(13) 4_575 1_565 ?
O41 Cs3 O8 100.90(16) 2 1_565 ?
O6 Cs3 O8 169.29(13) 2 1_565 ?
O7 Cs3 O8 49.49(12) 1_565 1_565 ?
O30 Cs3 O8 93.54(13) 2 1_565 ?
O35 Cs3 O8 54.59(13) 4_575 1_565 ?
O5 Cs3 O5 146.16(3) 2 1_565 ?
O31 Cs3 O5 62.64(12) 2 1_565 ?
O33 Cs3 O5 104.88(13) 4_575 1_565 ?
O41 Cs3 O5 56.39(14) 2 1_565 ?
O6 Cs3 O5 130.63(12) 2 1_565 ?
O7 Cs3 O5 47.47(12) 1_565 1_565 ?
O30 Cs3 O5 56.99(13) 2 1_565 ?
O35 Cs3 O5 97.33(13) 4_575 1_565 ?
O8 Cs3 O5 47.08(11) 1_565 1_565 ?
O5 Cs3 O25 62.17(13) 2 2_655 ?
O31 Cs3 O25 88.74(12) 2 2_655 ?
O33 Cs3 O25 86.09(12) 4_575 2_655 ?
O41 Cs3 O25 133.43(18) 2 2_655 ?
O6 Cs3 O25 52.65(12) 2 2_655 ?
O7 Cs3 O25 154.52(12) 1_565 2_655 ?
O30 Cs3 O25 103.67(13) 2 2_655 ?
O35 Cs3 O25 68.66(13) 4_575 2_655 ?
O8 Cs3 O25 123.05(11) 1_565 2_655 ?
O5 Cs3 O25 151.26(12) 1_565 2_655 ?
O25 Cs4 O31 104.86(15) 1_455 . ?
O25 Cs4 O24 178.68(14) 1_455 3_566 ?
O31 Cs4 O24 74.80(14) . 3_566 ?
O25 Cs4 O24 80.97(14) 1_455 . ?
O31 Cs4 O24 170.43(14) . . ?
O24 Cs4 O24 99.19(12) 3_566 . ?
O25 Cs4 O39 75.41(13) 1_455 . ?
O31 Cs4 O39 86.30(14) . . ?
O24 Cs4 O39 105.81(13) 3_566 . ?
O24 Cs4 O39 102.65(13) . . ?
O25 Cs4 O28 54.47(12) 1_455 1_455 ?
O31 Cs4 O28 122.31(14) . 1_455 ?
O24 Cs4 O28 124.58(13) 3_566 1_455 ?
O24 Cs4 O28 54.82(13) . 1_455 ?
O39 Cs4 O28 125.93(13) . 1_455 ?
O25 Cs4 O40 122.05(13) 1_455 . ?
O31 Cs4 O40 98.11(13) . . ?
O24 Cs4 O40 59.27(13) 3_566 . ?
O24 Cs4 O40 84.78(12) . . ?
O39 Cs4 O40 53.66(12) . . ?
O28 Cs4 O40 139.45(12) 1_455 . ?
O25 Cs4 O23 124.99(14) 1_455 3_566 ?
O31 Cs4 O23 58.94(14) . 3_566 ?
O24 Cs4 O23 53.72(13) 3_566 3_566 ?
O24 Cs4 O23 111.52(14) . 3_566 ?
O39 Cs4 O23 142.03(14) . 3_566 ?
O28 Cs4 O23 88.35(13) 1_455 3_566 ?
O40 Cs4 O23 112.54(12) . 3_566 ?
O25 Cs4 O21 66.17(14) 1_455 . ?
O31 Cs4 O21 138.87(13) . . ?
O24 Cs4 O21 114.95(13) 3_566 . ?
O24 Cs4 O21 50.33(13) . . ?
O39 Cs4 O21 52.64(13) . . ?
O28 Cs4 O21 86.41(13) 1_455 . ?
O40 Cs4 O21 61.75(13) . . ?
O23 Cs4 O21 159.72(13) 3_566 . ?
O25 Cs4 O35 74.20(14) 1_455 3_566 ?
O31 Cs4 O35 60.12(14) . 3_566 ?
O24 Cs4 O35 104.58(13) 3_566 3_566 ?
O24 Cs4 O35 115.51(13) . 3_566 ?
O39 Cs4 O35 125.68(12) . 3_566 ?
O28 Cs4 O35 62.33(13) 1_455 3_566 ?
O40 Cs4 O35 157.03(13) . 3_566 ?
O23 Cs4 O35 51.65(13) 3_566 3_566 ?
O21 Cs4 O35 139.26(14) . 3_566 ?
O25 Cs4 O32 126.94(13) 1_455 . ?
O31 Cs4 O32 50.12(13) . . ?
O24 Cs4 O32 53.85(13) 3_566 . ?
O24 Cs4 O32 132.08(12) . . ?
O39 Cs4 O32 59.29(13) . . ?
O28 Cs4 O32 172.02(13) 1_455 . ?
O40 Cs4 O32 47.99(12) . . ?
O23 Cs4 O32 85.00(13) 3_566 . ?
O21 Cs4 O32 101.33(13) . . ?
O35 Cs4 O32 109.89(13) 3_566 . ?
O1 Mo1 O2 111.3(3) . . ?
O1 Mo1 O3 108.0(3) . . ?
O2 Mo1 O3 111.2(2) . . ?
O1 Mo1 O4 109.0(2) . . ?
O2 Mo1 O4 109.0(2) . . ?
O3 Mo1 O4 108.3(2) . . ?
O5 Mo2 O6 107.9(2) . . ?
O5 Mo2 O7 109.0(2) . . ?
O6 Mo2 O7 111.6(3) . . ?
O5 Mo2 O8 107.0(2) . . ?
O6 Mo2 O8 111.6(2) . . ?
O7 Mo2 O8 109.5(3) . . ?
O9 Mo3 O10 109.5(2) . . ?
O9 Mo3 O11 112.8(3) . . ?
O10 Mo3 O11 107.0(2) . . ?
O9 Mo3 O12 109.0(3) . . ?
O10 Mo3 O12 108.8(2) . . ?
O11 Mo3 O12 109.7(2) . . ?
O13 Mo4 O14 109.3(3) . . ?
O13 Mo4 O15 109.1(3) . . ?
O14 Mo4 O15 111.2(3) . . ?
O13 Mo4 O16 108.2(2) . . ?
O14 Mo4 O16 111.4(2) . . ?
O15 Mo4 O16 107.6(2) . . ?
O17 Mo5 O18 109.9(2) . . ?
O17 Mo5 O19 107.1(2) . . ?
O18 Mo5 O19 112.9(2) . . ?
O17 Mo5 O20 108.7(2) . . ?
O18 Mo5 O20 109.0(3) . . ?
O19 Mo5 O20 109.1(2) . . ?
O21 Mo6 O22 109.9(3) . . ?
O21 Mo6 O23 108.3(3) . . ?
O22 Mo6 O23 112.5(3) . . ?
O21 Mo6 O24 108.2(3) . . ?
O22 Mo6 O24 110.2(2) . . ?
O23 Mo6 O24 107.8(2) . . ?
O25 Mo7 O26 108.4(3) . . ?
O25 Mo7 O27 107.9(3) . . ?
O26 Mo7 O27 108.7(3) . . ?
O25 Mo7 O28 108.1(2) . . ?
O26 Mo7 O28 112.2(2) . . ?
O27 Mo7 O28 111.4(2) . . ?
O29 Mo8 O30 111.9(3) . . ?
O29 Mo8 O31 110.4(2) . . ?
O30 Mo8 O31 106.8(3) . . ?
O29 Mo8 O32 109.6(3) . . ?
O30 Mo8 O32 108.7(3) . . ?
O31 Mo8 O32 109.3(2) . . ?
O33 Mo9 O34 108.4(3) . . ?
O33 Mo9 O35 109.1(3) . . ?
O34 Mo9 O35 110.0(3) . . ?
O33 Mo9 O36 113.8(3) . . ?
O34 Mo9 O36 104.4(3) . . ?
O35 Mo9 O36 111.0(3) . . ?
O37 Mo10 O38 104.0(3) . . ?
O37 Mo10 O39 113.3(3) . . ?
O38 Mo10 O39 109.4(3) . . ?
O37 Mo10 O40 107.7(3) . . ?
O38 Mo10 O40 111.6(2) . . ?
O39 Mo10 O40 110.8(2) . . ?
O41 Mo11 O42 103.1(3) . . ?
O41 Mo11 O43 109.9(3) . . ?
O42 Mo11 O43 110.0(3) . . ?
O41 Mo11 O44 107.7(4) . . ?
O42 Mo11 O44 115.2(3) . . ?
O43 Mo11 O44 110.6(3) . . ?
O45 Mo12 O46 109.4(3) . . ?
O45 Mo12 O47 111.8(3) . . ?
O46 Mo12 O47 109.1(2) . . ?
O45 Mo12 O48 103.3(3) . . ?
O46 Mo12 O48 113.6(2) . . ?
O47 Mo12 O48 109.7(2) . . ?
O24 Sc1 O48 90.66(19) 1_655 4_566 ?
O24 Sc1 O28 88.4(2) 1_655 . ?
O48 Sc1 O28 97.3(2) 4_566 . ?
O24 Sc1 O40 96.2(2) 1_655 3_666 ?
O48 Sc1 O40 172.6(2) 4_566 3_666 ?
O28 Sc1 O40 85.89(19) . 3_666 ?
O24 Sc1 O32 93.7(2) 1_655 3_666 ?
O48 Sc1 O32 92.5(2) 4_566 3_666 ?
O28 Sc1 O32 169.9(2) . 3_666 ?
O40 Sc1 O32 84.1(2) 3_666 3_666 ?
O24 Sc1 O12 172.7(2) 1_655 . ?
O48 Sc1 O12 82.3(2) 4_566 . ?
O28 Sc1 O12 90.66(19) . . ?
O40 Sc1 O12 90.9(2) 3_666 . ?
O32 Sc1 O12 88.5(2) 3_666 . ?
O16 Sc2 O36 94.6(2) . 3_666 ?
O16 Sc2 O27 173.3(2) . . ?
O36 Sc2 O27 79.8(2) 3_666 . ?
O16 Sc2 O3 95.0(2) . . ?
O36 Sc2 O3 91.5(2) 3_666 . ?
O27 Sc2 O3 88.78(19) . . ?
O16 Sc2 O11 87.4(2) . . ?
O36 Sc2 O11 97.5(2) 3_666 . ?
O27 Sc2 O11 89.7(2) . . ?
O3 Sc2 O11 170.4(2) . . ?
O16 Sc2 O43 93.6(2) . 2_645 ?
O36 Sc2 O43 171.7(2) 3_666 2_645 ?
O27 Sc2 O43 92.2(2) . 2_645 ?
O3 Sc2 O43 86.4(2) . 2_645 ?
O11 Sc2 O43 84.2(2) . 2_645 ?
O20 Sc3 O4 99.0(2) 2_645 . ?
O20 Sc3 O34 84.5(2) 2_645 4_565 ?
O4 Sc3 O34 89.2(2) . 4_565 ?
O20 Sc3 O8 85.4(2) 2_645 . ?
O4 Sc3 O8 174.5(2) . . ?
O34 Sc3 O8 88.1(2) 4_565 . ?
O20 Sc3 O15 168.4(2) 2_645 . ?
O4 Sc3 O15 89.6(2) . . ?
O34 Sc3 O15 87.9(2) 4_565 . ?
O8 Sc3 O15 85.6(2) . . ?
O20 Sc3 O44 81.0(2) 2_645 . ?
O4 Sc3 O44 96.8(2) . . ?
O34 Sc3 O44 165.0(2) 4_565 . ?
O8 Sc3 O44 87.0(2) . . ?
O15 Sc3 O44 105.8(2) . . ?
O31 Sc4 O8 99.5(2) 2_545 . ?
O31 Sc4 O23 87.4(2) 2_545 4_565 ?
O8 Sc4 O23 165.4(2) . 4_565 ?
O31 Sc4 O20 175.6(2) 2_545 2_645 ?
O8 Sc4 O20 80.01(19) . 2_645 ?
O23 Sc4 O20 94.14(19) 4_565 2_645 ?
O31 Sc4 O42 98.2(2) 2_545 . ?
O8 Sc4 O42 91.9(2) . . ?
O23 Sc4 O42 99.9(2) 4_565 . ?
O20 Sc4 O42 77.4(2) 2_645 . ?
O31 Sc4 O35 92.8(2) 2_545 4_565 ?
O8 Sc4 O35 86.3(2) . 4_565 ?
O23 Sc4 O35 80.5(2) 4_565 4_565 ?
O20 Sc4 O35 91.5(2) 2_645 4_565 ?
O42 Sc4 O35 168.9(2) . 4_565 ?
O41 Sc5 O5 88.6(2) 2_645 1_655 ?
O41 Sc5 O27 84.9(3) 2_645 . ?
O5 Sc5 O27 101.9(2) 1_655 . ?
O41 Sc5 O3 84.3(2) 2_645 . ?
O5 Sc5 O3 172.5(2) 1_655 . ?
O27 Sc5 O3 80.1(2) . . ?
O41 Sc5 O30 80.9(3) 2_645 2_645 ?
O5 Sc5 O30 91.0(2) 1_655 2_645 ?
O27 Sc5 O30 160.5(2) . 2_645 ?
O3 Sc5 O30 85.3(2) . 2_645 ?
O41 Sc5 O33 162.1(2) 2_645 3_666 ?
O5 Sc5 O33 101.9(2) 1_655 3_666 ?
O27 Sc5 O33 78.85(19) . 3_666 ?
O3 Sc5 O33 85.6(2) . 3_666 ?
O30 Sc5 O33 113.0(2) 2_645 3_666 ?
O37 Sc6 O19 101.1(2) . 3_666 ?
O37 Sc6 O13 96.0(2) . . ?
O19 Sc6 O13 162.9(2) 3_666 . ?
O37 Sc6 O10 92.1(2) . . ?
O19 Sc6 O10 83.4(2) 3_666 . ?
O13 Sc6 O10 96.7(2) . . ?
O37 Sc6 O47 169.8(2) . 2_645 ?
O19 Sc6 O47 80.16(19) 3_666 2_645 ?
O13 Sc6 O47 82.9(2) . 2_645 ?
O10 Sc6 O47 98.06(19) . 2_645 ?
O37 Sc6 O21 77.8(2) . . ?
O19 Sc6 O21 96.3(2) 3_666 . ?
O13 Sc6 O21 86.6(2) . . ?
O10 Sc6 O21 169.7(2) . . ?
O47 Sc6 O21 92.0(2) 2_645 . ?
O21 Na7 O25 99.3(2) . 1_455 ?
O21 Na7 O45 82.5(2) . 2_645 ?
O25 Na7 O45 90.1(2) 1_455 2_645 ?
O21 Na7 O13 88.4(2) . . ?
O25 Na7 O13 169.4(2) 1_455 . ?
O45 Na7 O13 83.7(2) 2_645 . ?
O21 Na7 O6 153.7(2) . . ?
O25 Na7 O6 78.45(19) 1_455 . ?
O45 Na7 O6 123.4(2) 2_645 . ?
O13 Na7 O6 97.8(2) . . ?
O21 Na7 O39 77.1(2) . . ?
O25 Na7 O39 101.8(2) 1_455 . ?
O45 Na7 O39 157.8(2) 2_645 . ?
O13 Na7 O39 86.9(2) . . ?
O6 Na7 O39 77.76(18) . . ?
O17 Na8 O38 94.1(2) . . ?
O17 Na8 O46 100.1(2) . 2_655 ?
O38 Na8 O46 157.6(2) . 2_655 ?
O17 Na8 O2 77.54(19) . 2_655 ?
O38 Na8 O2 121.2(2) . 2_655 ?
O46 Na8 O2 79.09(18) 2_655 2_655 ?
O17 Na8 O12 108.0(2) . 3_666 ?
O38 Na8 O12 80.4(2) . 3_666 ?
O46 Na8 O12 78.73(18) 2_655 3_666 ?
O2 Na8 O12 157.8(2) 2_655 3_666 ?
O17 Na8 O32 175.4(2) . . ?
O38 Na8 O32 82.3(2) . . ?
O46 Na8 O32 84.21(19) 2_655 . ?
O2 Na8 O32 102.0(2) 2_655 . ?
O12 Na8 O32 74.15(18) 3_666 . ?
O26 Na9 O19 161.3(2) 1_565 . ?
O26 Na9 O47 116.3(2) 1_565 4_576 ?
O19 Na9 O47 77.08(18) . 4_576 ?
O26 Na9 O22 76.0(2) 1_565 3_666 ?
O19 Na9 O22 91.7(2) . 3_666 ?
O47 Na9 O22 89.9(2) 4_576 3_666 ?
O26 Na9 O43 88.4(2) 1_565 2_655 ?
O19 Na9 O43 88.2(2) . 2_655 ?
O47 Na9 O43 140.1(2) 4_576 2_655 ?
O22 Na9 O43 127.9(2) 3_666 2_655 ?
O26 Na9 O11 81.7(2) 1_565 1_565 ?
O19 Na9 O11 113.8(2) . 1_565 ?
O47 Na9 O11 84.8(2) 4_576 1_565 ?
O22 Na9 O11 151.9(2) 3_666 1_565 ?
O43 Na9 O11 67.4(2) 2_655 1_565 ?
O18 Na10 O40 129.0(2) . 3_666 ?
O18 Na10 O35 92.2(2) . 3_666 ?
O40 Na10 O35 137.0(2) 3_666 3_666 ?
O18 Na10 O9 76.75(19) . . ?
O40 Na10 O9 88.5(2) 3_666 . ?
O35 Na10 O9 116.1(2) 3_666 . ?
O18 Na10 O23 88.8(2) . 3_666 ?
O40 Na10 O23 92.5(2) 3_666 3_666 ?
O35 Na10 O23 74.4(2) 3_666 3_666 ?
O9 Na10 O23 162.1(2) . 3_666 ?
O18 Na10 O28 153.4(2) . . ?
O40 Na10 O28 65.19(16) 3_666 . ?
O35 Na10 O28 83.2(2) 3_666 . ?
O9 Na10 O28 81.78(19) . . ?
O23 Na10 O28 114.81(19) 3_666 . ?
O29 Na11 O26 168.9(2) . 1_465 ?
O29 Na11 O7 78.1(2) . 1_565 ?
O26 Na11 O7 112.6(2) 1_465 1_565 ?
O29 Na11 O42 86.4(2) . 2 ?
O26 Na11 O42 89.2(2) 1_465 2 ?
O7 Na11 O42 125.2(2) 1_565 2 ?
O29 Na11 O45 100.6(2) . 2_655 ?
O26 Na11 O45 80.1(2) 1_465 2_655 ?
O7 Na11 O45 76.1(2) 1_565 2_655 ?
O42 Na11 O45 158.7(2) 2 2_655 ?
O29 Na12 O7 80.1(2) . 1_565 ?
O29 Na12 O46 85.1(2) . 2_655 ?
O7 Na12 O46 106.0(2) 1_565 2_655 ?
O29 Na12 O2 92.4(2) . 2_655 ?
O7 Na12 O2 170.6(2) 1_565 2_655 ?
O46 Na12 O2 78.78(19) 2_655 2_655 ?
O29 Na12 O33 90.5(2) . 4_575 ?
O7 Na12 O33 97.3(2) 1_565 4_575 ?
O46 Na12 O33 155.2(2) 2_655 4_575 ?
O2 Na12 O33 77.02(19) 2_655 4_575 ?
O29 Na12 O15 156.1(2) . 1_565 ?
O7 Na12 O15 76.60(19) 1_565 1_565 ?
O46 Na12 O15 95.98(19) 2_655 1_565 ?
O2 Na12 O15 111.3(2) 2_655 1_565 ?
O33 Na12 O15 97.80(19) 4_575 1_565 ?
O14 Na13 O1 77.0(2) 2_655 1_565 ?
O14 Na13 O18 171.7(3) 2_655 2_655 ?
O1 Na13 O18 110.7(2) 1_565 2_655 ?
O14 Na13 O38 99.1(2) 2_655 2_655 ?
O1 Na13 O38 75.0(2) 1_565 2_655 ?
O18 Na13 O38 80.4(2) 2_655 2_655 ?
O14 Na13 O36 81.5(2) 2_655 4_575 ?
O1 Na13 O36 120.3(2) 1_565 4_575 ?
O18 Na13 O36 96.7(2) 2_655 4_575 ?
O38 Na13 O36 164.1(3) 2_655 4_575 ?
O14 Na14 O39 83.9(2) . . ?
O14 Na14 O1 76.7(2) . 2_655 ?
O39 Na14 O1 106.4(2) . 2_655 ?
O14 Na14 O6 93.0(2) . . ?
O39 Na14 O6 77.94(19) . . ?
O1 Na14 O6 168.0(2) 2_655 . ?
O14 Na14 O30 152.3(2) . . ?
O39 Na14 O30 91.16(19) . . ?
O1 Na14 O30 78.6(2) 2_655 . ?
O6 Na14 O30 112.7(2) . . ?
O14 Na14 O44 86.7(2) . . ?
O39 Na14 O44 150.3(2) . . ?
O1 Na14 O44 98.7(2) 2_655 . ?
O6 Na14 O44 74.48(18) . . ?
O30 Na14 O44 109.4(2) . . ?
O22 Na15 O48 104.3(5) 3_556 4_466 ?
O22 Na15 O22 164.0(4) 3_556 . ?
O48 Na15 O22 78.9(4) 4_466 . ?
O22 Na15 O26 70.6(3) 3_556 1_455 ?
O48 Na15 O26 78.5(3) 4_466 1_455 ?
O22 Na15 O26 125.2(5) . 1_455 ?
O22 Na15 O48 77.7(4) 3_556 2_645 ?
O48 Na15 O48 165.0(3) 4_466 2_645 ?
O22 Na15 O48 95.3(4) . 2_645 ?
O26 Na15 O48 115.7(4) 1_455 2_645 ?
O22 Na15 O45 102.3(4) 3_556 2_645 ?
O48 Na15 O45 131.5(4) 4_466 2_645 ?
O22 Na15 O45 86.3(4) . 2_645 ?
O26 Na15 O45 73.2(2) 1_455 2_645 ?
O48 Na15 O45 60.9(3) 2_645 2_645 ?
O9 Na16 O37 96.0(4) . 3_666 ?
O9 Na16 O9 162.6(3) . 3_666 ?
O37 Na16 O9 86.3(4) 3_666 3_666 ?
O9 Na16 O18 72.4(3) . . ?
O37 Na16 O18 75.9(3) 3_666 . ?
O9 Na16 O18 124.7(4) 3_666 . ?
O9 Na16 O37 84.0(4) . . ?
O37 Na16 O37 163.9(3) 3_666 . ?
O9 Na16 O37 89.1(3) 3_666 . ?
O18 Na16 O37 119.0(4) . . ?
O9 Na16 O38 102.4(4) . . ?
O37 Na16 O38 135.9(3) 3_666 . ?
O9 Na16 O38 87.4(3) 3_666 . ?
O18 Na16 O38 72.3(2) . . ?
O37 Na16 O38 59.1(3) . . ?
Mo1 O1 Na13 143.0(3) . 1_545 ?
Mo1 O1 Na14 121.9(3) . 2_645 ?
Na13 O1 Na14 95.0(2) 1_545 2_645 ?
Mo1 O1 Cs2 85.5(2) . 1_545 ?
Na13 O1 Cs2 96.82(19) 1_545 1_545 ?
Na14 O1 Cs2 91.32(19) 2_645 1_545 ?
Mo1 O2 Na12 151.7(3) . 2_645 ?
Mo1 O2 Na8 107.7(3) . 2_645 ?
Na12 O2 Na8 97.65(19) 2_645 2_645 ?
Mo1 O2 Cs2 92.8(2) . 2_645 ?
Na12 O2 Cs2 87.69(18) 2_645 2_645 ?
Na8 O2 Cs2 114.39(19) 2_645 2_645 ?
Mo1 O3 Sc2 143.4(3) . . ?
Mo1 O3 Sc5 112.2(2) . . ?
Sc2 O3 Sc5 94.7(2) . . ?
Mo1 O3 Cs2 85.11(19) . 1_545 ?
Sc2 O3 Cs2 87.22(16) . 1_545 ?
Sc5 O3 Cs2 143.6(2) . 1_545 ?
Mo1 O4 Sc3 149.6(3) . . ?
Mo1 O4 Cs2 100.1(2) . 2_645 ?
Sc3 O4 Cs2 101.5(2) . 2_645 ?
Mo1 O4 Cs2 75.84(17) . 1_545 ?
Sc3 O4 Cs2 88.41(16) . 1_545 ?
Cs2 O4 Cs2 164.3(2) 2_645 1_545 ?
Mo2 O5 Na5 150.8(3) . 1_455 ?
Mo2 O5 Sc5 150.8(3) . 1_455 ?
Na5 O5 Sc5 0.00(19) 1_455 1_455 ?
Mo2 O5 Cs3 101.4(2) . 2_545 ?
Na5 O5 Cs3 93.43(18) 1_455 2_545 ?
Sc5 O5 Cs3 93.43(18) 1_455 2_545 ?
Mo2 O5 Cs3 80.07(17) . 1_545 ?
Na5 O5 Cs3 89.49(16) 1_455 1_545 ?
Sc5 O5 Cs3 89.49(16) 1_455 1_545 ?
Cs3 O5 Cs3 170.47(18) 2_545 1_545 ?
Mo2 O6 Na7 108.1(3) . . ?
Mo2 O6 Na14 148.6(3) . . ?
Na7 O6 Na14 99.0(2) . . ?
Mo2 O6 Cs3 95.5(2) . 2_545 ?
Na7 O6 Cs3 114.57(19) . 2_545 ?
Na14 O6 Cs3 87.05(17) . 2_545 ?
Mo2 O7 Na12 122.1(3) . 1_545 ?
Mo2 O7 Na11 143.3(3) . 1_545 ?
Na12 O7 Na11 94.6(2) 1_545 1_545 ?
Mo2 O7 Cs3 85.7(2) . 1_545 ?
Na12 O7 Cs3 90.90(18) 1_545 1_545 ?
Na11 O7 Cs3 94.47(19) 1_545 1_545 ?
Mo2 O8 Sc3 118.0(3) . . ?
Mo2 O8 Sc4 136.6(3) . . ?
Sc3 O8 Sc4 97.0(2) . . ?
Mo2 O8 Cs3 81.19(17) . 1_545 ?
Sc3 O8 Cs3 145.3(2) . 1_545 ?
Sc4 O8 Cs3 83.67(16) . 1_545 ?
Mo3 O9 Na16 132.2(3) . . ?
Mo3 O9 Na10 121.2(3) . . ?
Na16 O9 Na10 91.3(3) . . ?
Mo3 O9 Na16 114.8(3) . 3_666 ?
Na16 O9 Na16 17.4(3) . 3_666 ?
Na10 O9 Na16 102.7(3) . 3_666 ?
Mo3 O10 Sc6 142.1(3) . . ?
Mo3 O10 Cs1 105.6(2) . 1_545 ?
Sc6 O10 Cs1 89.95(17) . 1_545 ?
Mo3 O10 Cs1 115.3(2) . 3_666 ?
Sc6 O10 Cs1 101.37(17) . 3_666 ?
Cs1 O10 Cs1 78.88(12) 1_545 3_666 ?
Mo3 O11 Sc2 133.8(3) . . ?
Mo3 O11 Na9 128.6(3) . 1_545 ?
Sc2 O11 Na9 97.6(2) . 1_545 ?
Mo3 O11 Cs1 94.8(2) . 1_545 ?
Sc2 O11 Cs1 94.29(18) . 1_545 ?
Na9 O11 Cs1 76.93(15) 1_545 1_545 ?
Mo3 O12 Sc1 125.0(3) . . ?
Mo3 O12 Na8 131.1(2) . 3_666 ?
Sc1 O12 Na8 98.43(19) . 3_666 ?
Mo4 O13 Sc6 141.1(3) . . ?
Mo4 O13 Na7 113.9(3) . . ?
Sc6 O13 Na7 92.8(2) . . ?
Mo4 O13 Cs1 90.6(2) . 1_545 ?
Sc6 O13 Cs1 79.49(16) . 1_545 ?
Na7 O13 Cs1 146.8(2) . 1_545 ?
Mo4 O14 Na14 121.9(3) . . ?
Mo4 O14 Na13 133.3(3) . 2_645 ?
Na14 O14 Na13 98.5(2) . 2_645 ?
Mo4 O15 Sc3 123.4(3) . . ?
Mo4 O15 Na12 120.6(3) . 1_545 ?
Sc3 O15 Na12 115.9(2) . 1_545 ?
Mo4 O15 Cs2 94.1(2) . 1_545 ?
Sc3 O15 Cs2 94.64(17) . 1_545 ?
Na12 O15 Cs2 77.14(16) 1_545 1_545 ?
Mo4 O16 Sc2 141.9(3) . . ?
Mo4 O16 Cs1 106.7(2) . 1_545 ?
Sc2 O16 Cs1 104.31(18) . 1_545 ?
Mo4 O16 Cs2 105.9(2) . 1_545 ?
Sc2 O16 Cs2 95.78(17) . 1_545 ?
Cs1 O16 Cs2 89.36(13) 1_545 1_545 ?
Mo5 O17 Na8 138.9(3) . . ?
Mo5 O17 Cs1 105.1(2) . . ?
Na8 O17 Cs1 91.97(18) . . ?
Mo5 O17 Cs2 113.7(2) . . ?
Na8 O17 Cs2 105.63(18) . . ?
Cs1 O17 Cs2 81.31(12) . . ?
Mo5 O18 Na10 122.1(3) . . ?
Mo5 O18 Na13 118.4(3) . 2_645 ?
Na10 O18 Na13 104.2(2) . 2_645 ?
Mo5 O18 Na16 130.7(3) . . ?
Na10 O18 Na16 88.9(3) . . ?
Na13 O18 Na16 83.7(3) 2_645 . ?
Mo5 O19 Na6 127.5(3) . 3_666 ?
Mo5 O19 Sc6 127.5(3) . 3_666 ?
Na6 O19 Sc6 0.00(17) 3_666 3_666 ?
Mo5 O19 Na9 133.1(3) . . ?
Na6 O19 Na9 99.0(2) 3_666 . ?
Sc6 O19 Na9 99.0(2) 3_666 . ?
Mo5 O19 Cs1 93.9(2) . . ?
Na6 O19 Cs1 98.51(17) 3_666 . ?
Sc6 O19 Cs1 98.51(17) 3_666 . ?
Na9 O19 Cs1 84.12(17) . . ?
Mo5 O20 Na3 136.9(3) . 2_655 ?
Mo5 O20 Sc3 136.9(3) . 2_655 ?
Na3 O20 Sc3 0.00(11) 2_655 2_655 ?
Mo5 O20 Na4 119.5(3) . 2_655 ?
Na3 O20 Na4 97.2(2) 2_655 2_655 ?
Sc3 O20 Na4 97.2(2) 2_655 2_655 ?
Mo5 O20 Sc4 119.5(3) . 2_655 ?
Na3 O20 Sc4 97.2(2) 2_655 2_655 ?
Sc3 O20 Sc4 97.2(2) 2_655 2_655 ?
Na4 O20 Sc4 0.00(15) 2_655 2_655 ?
Mo6 O21 Na7 144.2(3) . . ?
Mo6 O21 Sc6 114.3(3) . . ?
Na7 O21 Sc6 92.1(2) . . ?
Mo6 O21 Cs4 91.4(2) . . ?
Na7 O21 Cs4 76.62(17) . . ?
Sc6 O21 Cs4 146.1(2) . . ?
Mo6 O22 Na15 130.8(3) . 3_556 ?
Mo6 O22 Na9 121.1(3) . 3_666 ?
Na15 O22 Na9 96.1(3) 3_556 3_666 ?
Mo6 O22 Na15 114.9(3) . . ?
Na15 O22 Na15 16.0(4) 3_556 . ?
Na9 O22 Na15 107.1(3) 3_666 . ?
Mo6 O23 Na4 127.3(3) . 4_566 ?
Mo6 O23 Sc4 127.3(3) . 4_566 ?
Na4 O23 Sc4 0.00(15) 4_566 4_566 ?
Mo6 O23 Na10 132.5(3) . 3_666 ?
Na4 O23 Na10 100.1(2) 4_566 3_666 ?
Sc4 O23 Na10 100.1(2) 4_566 3_666 ?
Mo6 O23 Cs4 94.0(2) . 3_566 ?
Na4 O23 Cs4 93.00(17) 4_566 3_566 ?
Sc4 O23 Cs4 93.00(17) 4_566 3_566 ?
Na10 O23 Cs4 80.03(17) 3_666 3_566 ?
Mo6 O24 Na1 145.3(3) . 1_455 ?
Mo6 O24 Sc1 145.3(3) . 1_455 ?
Na1 O24 Sc1 0.00(10) 1_455 1_455 ?
Mo6 O24 Cs4 103.4(2) . 3_566 ?
Na1 O24 Cs4 100.73(19) 1_455 3_566 ?
Sc1 O24 Cs4 100.73(19) 1_455 3_566 ?
Mo6 O24 Cs4 105.3(2) . . ?
Na1 O24 Cs4 102.92(18) 1_455 . ?
Sc1 O24 Cs4 102.92(18) 1_455 . ?
Cs4 O24 Cs4 80.81(11) 3_566 . ?
Mo7 O25 Na7 141.7(3) . 1_655 ?
Mo7 O25 Cs4 104.0(2) . 1_655 ?
Na7 O25 Cs4 89.50(18) 1_655 1_655 ?
Mo7 O25 Cs3 115.2(2) . 2_645 ?
Na7 O25 Cs3 102.44(17) 1_655 2_645 ?
Cs4 O25 Cs3 78.74(12) 1_655 2_645 ?
Mo7 O26 Na9 124.1(3) . 1_545 ?
Mo7 O26 Na11 120.2(3) . 1_645 ?
Na9 O26 Na11 103.1(2) 1_545 1_645 ?
Mo7 O26 Na15 124.2(4) . 1_655 ?
Na9 O26 Na15 90.3(3) 1_545 1_655 ?
Na11 O26 Na15 85.7(3) 1_645 1_655 ?
Mo7 O27 Sc2 123.8(3) . . ?
Mo7 O27 Sc5 133.0(3) . . ?
Sc2 O27 Sc5 96.1(2) . . ?
Mo7 O28 Sc1 137.8(3) . . ?
Mo7 O28 Na10 126.6(2) . . ?
Sc1 O28 Na10 95.63(18) . . ?
Mo7 O28 Cs4 91.97(18) . 1_655 ?
Sc1 O28 Cs4 97.93(17) . 1_655 ?
Na10 O28 Cs4 76.69(14) . 1_655 ?
Mo8 O29 Na12 123.8(3) . . ?
Mo8 O29 Na11 130.3(3) . . ?
Na12 O29 Na11 95.3(2) . . ?
Mo8 O30 Na5 112.4(3) . 2_655 ?
Mo8 O30 Sc5 112.4(3) . 2_655 ?
Na5 O30 Sc5 0.00(13) 2_655 2_655 ?
Mo8 O30 Na14 132.3(3) . . ?
Na5 O30 Na14 115.1(2) 2_655 . ?
Sc5 O30 Na14 115.1(2) 2_655 . ?
Mo8 O30 Cs3 94.7(2) . 2_545 ?
Na5 O30 Cs3 91.38(18) 2_655 2_545 ?
Sc5 O30 Cs3 91.38(18) 2_655 2_545 ?
Na14 O30 Cs3 80.03(17) . 2_545 ?
Mo8 O31 Na4 140.8(3) . 2 ?
Mo8 O31 Sc4 140.8(3) . 2 ?
Na4 O31 Sc4 0.00(11) 2 2 ?
Mo8 O31 Cs4 109.0(2) . . ?
Na4 O31 Cs4 102.82(18) 2 . ?
Sc4 O31 Cs4 102.82(18) 2 . ?
Mo8 O31 Cs3 108.0(2) . 2_545 ?
Na4 O31 Cs3 95.45(19) 2 2_545 ?
Sc4 O31 Cs3 95.45(19) 2 2_545 ?
Cs4 O31 Cs3 87.60(13) . 2_545 ?
Mo8 O32 Na1 146.6(3) . 3_666 ?
Mo8 O32 Sc1 146.6(3) . 3_666 ?
Na1 O32 Sc1 0.00(7) 3_666 3_666 ?
Mo8 O32 Na8 108.2(2) . . ?
Na1 O32 Na8 98.9(2) 3_666 . ?
Sc1 O32 Na8 98.9(2) 3_666 . ?
Mo8 O32 Cs4 85.41(19) . . ?
Na1 O32 Cs4 82.23(16) 3_666 . ?
Sc1 O32 Cs4 82.23(16) 3_666 . ?
Na8 O32 Cs4 146.5(2) . . ?
Mo9 O33 Na5 122.6(3) . 3_666 ?
Mo9 O33 Sc5 122.6(3) . 3_666 ?
Na5 O33 Sc5 0.00(17) 3_666 3_666 ?
Mo9 O33 Na12 126.2(3) . 4_576 ?
Na5 O33 Na12 105.5(2) 3_666 4_576 ?
Sc5 O33 Na12 105.5(2) 3_666 4_576 ?
Mo9 O33 Cs3 106.2(2) . 4_576 ?
Na5 O33 Cs3 89.13(17) 3_666 4_576 ?
Sc5 O33 Cs3 89.13(17) 3_666 4_576 ?
Na12 O33 Cs3 96.39(17) 4_576 4_576 ?
Mo9 O34 Na3 131.6(3) . 4_566 ?
Mo9 O34 Sc3 131.6(3) . 4_566 ?
Na3 O34 Sc3 0.00(11) 4_566 4_566 ?
Mo9 O34 Cs2 113.5(3) . 4_576 ?
Na3 O34 Cs2 102.7(2) 4_566 4_576 ?
Sc3 O34 Cs2 102.7(2) 4_566 4_576 ?
Mo9 O35 Na4 120.0(3) . 4_566 ?
Mo9 O35 Sc4 120.0(3) . 4_566 ?
Na4 O35 Sc4 0.00(13) 4_566 4_566 ?
Mo9 O35 Na10 113.5(3) . 3_666 ?
Na4 O35 Na10 98.4(2) 4_566 3_666 ?
Sc4 O35 Na10 98.4(2) 4_566 3_666 ?
Mo9 O35 Cs3 92.9(2) . 4_576 ?
Na4 O35 Cs3 83.38(17) 4_566 4_576 ?
Sc4 O35 Cs3 83.38(17) 4_566 4_576 ?
Na10 O35 Cs3 147.2(2) 3_666 4_576 ?
Mo9 O35 Cs4 151.7(3) . 3_566 ?
Na4 O35 Cs4 83.50(15) 4_566 3_566 ?
Sc4 O35 Cs4 83.50(15) 4_566 3_566 ?
Na10 O35 Cs4 74.58(14) 3_666 3_566 ?
Cs3 O35 Cs4 73.10(11) 4_576 3_566 ?
Mo9 O36 Na2 127.0(3) . 3_666 ?
Mo9 O36 Sc2 127.0(3) . 3_666 ?
Na2 O36 Sc2 0.00(11) 3_666 3_666 ?
Mo9 O36 Na13 101.0(3) . 4_576 ?
Na2 O36 Na13 132.0(3) 3_666 4_576 ?
Sc2 O36 Na13 132.0(3) 3_666 4_576 ?
Mo10 O37 Sc6 129.1(3) . . ?
Mo10 O37 Na16 110.1(3) . 3_666 ?
Sc6 O37 Na16 120.5(3) . 3_666 ?
Mo10 O37 Na16 97.2(3) . . ?
Sc6 O37 Na16 131.2(3) . . ?
Na16 O37 Na16 16.1(3) 3_666 . ?
Mo10 O38 Na8 125.9(3) . . ?
Mo10 O38 Na13 113.1(3) . 2_645 ?
Na8 O38 Na13 113.3(2) . 2_645 ?
Mo10 O38 Na16 92.6(3) . . ?
Na8 O38 Na16 122.3(3) . . ?
Na13 O38 Na16 79.0(3) 2_645 . ?
Mo10 O39 Na14 122.0(3) . . ?
Mo10 O39 Na7 126.6(3) . . ?
Na14 O39 Na7 99.48(19) . . ?
Mo10 O39 Cs4 100.19(19) . . ?
Na14 O39 Cs4 121.4(2) . . ?
Na7 O39 Cs4 82.16(15) . . ?
Mo10 O40 Na1 126.5(2) . 3_666 ?
Mo10 O40 Sc1 126.5(2) . 3_666 ?
Na1 O40 Sc1 0.00(9) 3_666 3_666 ?
Mo10 O40 Na10 106.0(2) . 3_666 ?
Na1 O40 Na10 109.8(2) 3_666 3_666 ?
Sc1 O40 Na10 109.8(2) 3_666 3_666 ?
Mo10 O40 Cs4 95.09(18) . . ?
Na1 O40 Cs4 91.51(17) 3_666 . ?
Sc1 O40 Cs4 91.51(17) 3_666 . ?
Na10 O40 Cs4 129.62(19) 3_666 . ?
Mo11 O41 Na5 132.0(3) . 2_655 ?
Mo11 O41 Sc5 132.0(3) . 2_655 ?
Na5 O41 Sc5 0.00(14) 2_655 2_655 ?
Mo11 O41 Cs3 120.3(3) . 2_545 ?
Na5 O41 Cs3 102.9(2) 2_655 2_545 ?
Sc5 O41 Cs3 102.9(2) 2_655 2_545 ?
Mo11 O42 Sc4 123.5(3) . . ?
Mo11 O42 Na11 108.8(3) . 2_545 ?
Sc4 O42 Na11 126.7(3) . 2_545 ?
Mo11 O43 Na2 126.0(3) . 2_655 ?
Mo11 O43 Sc2 126.0(3) . 2_655 ?
Na2 O43 Sc2 0.00(8) 2_655 2_655 ?
Mo11 O43 Na9 105.3(3) . 2_645 ?
Na2 O43 Na9 106.2(2) 2_655 2_645 ?
Sc2 O43 Na9 106.2(2) 2_655 2_645 ?
Mo11 O43 Cs2 93.3(2) . 2_645 ?
Na2 O43 Cs2 86.29(18) 2_655 2_645 ?
Sc2 O43 Cs2 86.29(18) 2_655 2_645 ?
Na9 O43 Cs2 143.6(2) 2_645 2_645 ?
Mo11 O43 Cs1 148.2(3) . 2_645 ?
Na2 O43 Cs1 83.16(16) 2_655 2_645 ?
Sc2 O43 Cs1 83.16(16) 2_655 2_645 ?
Na9 O43 Cs1 73.47(14) 2_645 2_645 ?
Cs2 O43 Cs1 74.31(11) 2_645 2_645 ?
Mo11 O44 Sc3 124.0(3) . . ?
Mo11 O44 Na14 115.3(3) . . ?
Sc3 O44 Na14 116.3(2) . . ?
Mo11 O44 Cs2 101.4(2) . 2_645 ?
Sc3 O44 Cs2 94.5(2) . 2_645 ?
Na14 O44 Cs2 95.01(17) . 2_645 ?
Mo12 O45 Na7 126.6(3) . 2_655 ?
Mo12 O45 Na11 111.3(3) . 2_645 ?
Na7 O45 Na11 110.5(2) 2_655 2_645 ?
Mo12 O45 Na15 93.9(3) . 2_655 ?
Na7 O45 Na15 123.3(3) 2_655 2_655 ?
Na11 O45 Na15 82.4(3) 2_645 2_655 ?
Mo12 O46 Na8 124.4(2) . 2_645 ?
Mo12 O46 Na12 123.6(3) . 2_645 ?
Na8 O46 Na12 99.0(2) 2_645 2_645 ?
Mo12 O46 Cs1 99.7(2) . 2_645 ?
Na8 O46 Cs1 84.11(16) 2_645 2_645 ?
Na12 O46 Cs1 120.80(18) 2_645 2_645 ?
Mo12 O47 Na6 122.7(2) . 2_655 ?
Mo12 O47 Sc6 122.7(2) . 2_655 ?
Na6 O47 Sc6 0.00(16) 2_655 2_655 ?
Mo12 O47 Na9 117.2(2) . 4_575 ?
Na6 O47 Na9 97.2(2) 2_655 4_575 ?
Sc6 O47 Na9 97.2(2) 2_655 4_575 ?
Mo12 O47 Cs1 98.18(19) . 2_645 ?
Na6 O47 Cs1 85.25(15) 2_655 2_645 ?
Sc6 O47 Cs1 85.25(15) 2_655 2_645 ?
Na9 O47 Cs1 134.6(2) 4_575 2_645 ?
Mo12 O48 Na1 128.3(3) . 4_565 ?
Mo12 O48 Sc1 128.3(3) . 4_565 ?
Na1 O48 Sc1 0.00(10) 4_565 4_565 ?
Mo12 O48 Na15 102.3(3) . 4_665 ?
Na1 O48 Na15 129.0(3) 4_565 4_665 ?
Sc1 O48 Na15 129.0(3) 4_565 4_665 ?
Mo12 O48 Na15 92.8(3) . 2_655 ?
Na1 O48 Na15 138.7(3) 4_565 2_655 ?
Sc1 O48 Na15 138.7(3) 4_565 2_655 ?
Na15 O48 Na15 15.0(3) 4_665 2_655 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        29.61
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.372
_refine_diff_density_min         -2.174
_refine_diff_density_rms         0.182
