#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/48/4314898.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_4314898
loop_
_publ_author_name
'Wendy L. Queen'
'Shiou-Jyh Hwu'
'Shane Reighard'
_publ_contact_author_address
;Department of Chemistry

Clemson University

Clemson, SC  29634-0973 

USA

;
_publ_contact_author_email       shwu@clemson.edu
_publ_contact_author_name        'Shiou-Jyh Hwu'
_publ_contact_author_phone       864-656-5031
_publ_section_title
;
 Salt-Templated Mesoporous Solids Comprised of Interlinked Polyoxovanadate
 Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1316
_journal_page_last               1318
_journal_paper_doi               10.1021/ic902283g
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'As2 Cl2.33 Cs3.5 Na1.47 O17 V5'
_chemical_formula_weight         1258.20
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            48
_cell_length_a                   33.119(4)
_cell_length_b                   33.119(4)
_cell_length_c                   33.119(4)
_cell_measurement_reflns_used    1069
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.3732
_cell_measurement_theta_min      2.6801
_cell_volume                     36327(8)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'SHELXS-97 (Sheldrick, 1990)'
_computing_publication_material  'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details
;

scan:

 Number of images: 109

            Slice: -90.0000 - 90.0000

      Image width: 0.5000

         Exp time: 220.0000

    Rotation axis: Omega

            Omega: 0.0000

              Chi: 45.0000

              Phi: 0.0000

              XTD: 32.1383

           2theta: 4.00

;
_diffrn_measurement_device_type  'Rigaku AFC8S'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0716
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            14750
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.04
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.083
_exptl_absorpt_correction_T_max  0.6427
_exptl_absorpt_correction_T_min  0.4987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB, CrystalClear'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.761
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             27135
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.963
_refine_diff_density_min         -1.091
_refine_diff_density_rms         0.222
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     108
_refine_ls_number_reflns         1563
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0957
_refine_ls_R_factor_gt           0.0707
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1330P)²+1403.8384P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1976
_refine_ls_wR_factor_ref         0.2291
_reflns_number_gt                1069
_reflns_number_total             1563
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902283g_si_002_3.cif
_cod_data_source_block           Cs3.50Na1.47(V5O9)(AsO4)2Cl2.33
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi scan' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        36329(7)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'As2 Cl2.33 Cs3.50 Na1.47 O17 V5'
_cod_database_code               4314898
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+3/4, -y+1/4, z+1/2'
'-x+1/4, y+1/2, -z+3/4'
'x+1/2, -y+3/4, -z+1/4'
'z, x, y'
'z+1/2, -x+3/4, -y+1/4'
'-z+3/4, -x+1/4, y+1/2'
'-z+1/4, x+1/2, -y+3/4'
'y, z, x'
'-y+1/4, z+1/2, -x+3/4'
'y+1/2, -z+3/4, -x+1/4'
'-y+3/4, -z+1/4, x+1/2'
'y+3/4, x+1/4, -z+1/2'
'-y, -x, -z'
'y+1/4, -x+1/2, z+3/4'
'-y+1/2, x+3/4, z+1/4'
'x+3/4, z+1/4, -y+1/2'
'-x+1/2, z+3/4, y+1/4'
'-x, -z, -y'
'x+1/4, -z+1/2, y+3/4'
'z+3/4, y+1/4, -x+1/2'
'z+1/4, -y+1/2, x+3/4'
'-z+1/2, y+3/4, x+1/4'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x+3/4, -y+3/4, z+1'
'-x+1/4, y+1, -z+5/4'
'x+1/2, -y+5/4, -z+3/4'
'z, x+1/2, y+1/2'
'z+1/2, -x+5/4, -y+3/4'
'-z+3/4, -x+3/4, y+1'
'-z+1/4, x+1, -y+5/4'
'y, z+1/2, x+1/2'
'-y+1/4, z+1, -x+5/4'
'y+1/2, -z+5/4, -x+3/4'
'-y+3/4, -z+3/4, x+1'
'y+3/4, x+3/4, -z+1'
'-y, -x+1/2, -z+1/2'
'y+1/4, -x+1, z+5/4'
'-y+1/2, x+5/4, z+3/4'
'x+3/4, z+3/4, -y+1'
'-x+1/2, z+5/4, y+3/4'
'-x, -z+1/2, -y+1/2'
'x+1/4, -z+1, y+5/4'
'z+3/4, y+3/4, -x+1'
'z+1/4, -y+1, x+5/4'
'-z+1/2, y+5/4, x+3/4'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+5/4, -y+1/4, z+1'
'-x+3/4, y+1/2, -z+5/4'
'x+1, -y+3/4, -z+3/4'
'z+1/2, x, y+1/2'
'z+1, -x+3/4, -y+3/4'
'-z+5/4, -x+1/4, y+1'
'-z+3/4, x+1/2, -y+5/4'
'y+1/2, z, x+1/2'
'-y+3/4, z+1/2, -x+5/4'
'y+1, -z+3/4, -x+3/4'
'-y+5/4, -z+1/4, x+1'
'y+5/4, x+1/4, -z+1'
'-y+1/2, -x, -z+1/2'
'y+3/4, -x+1/2, z+5/4'
'-y+1, x+3/4, z+3/4'
'x+5/4, z+1/4, -y+1'
'-x+1, z+3/4, y+3/4'
'-x+1/2, -z, -y+1/2'
'x+3/4, -z+1/2, y+5/4'
'z+5/4, y+1/4, -x+1'
'z+3/4, -y+1/2, x+5/4'
'-z+1, y+3/4, x+3/4'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+5/4, -y+3/4, z+1/2'
'-x+3/4, y+1, -z+3/4'
'x+1, -y+5/4, -z+1/4'
'z+1/2, x+1/2, y'
'z+1, -x+5/4, -y+1/4'
'-z+5/4, -x+3/4, y+1/2'
'-z+3/4, x+1, -y+3/4'
'y+1/2, z+1/2, x'
'-y+3/4, z+1, -x+3/4'
'y+1, -z+5/4, -x+1/4'
'-y+5/4, -z+3/4, x+1/2'
'y+5/4, x+3/4, -z+1/2'
'-y+1/2, -x+1/2, -z'
'y+3/4, -x+1, z+3/4'
'-y+1, x+5/4, z+1/4'
'x+5/4, z+3/4, -y+1/2'
'-x+1, z+5/4, y+1/4'
'-x+1/2, -z+1/2, -y'
'x+3/4, -z+1, y+3/4'
'z+5/4, y+3/4, -x+1/2'
'z+3/4, -y+1, x+3/4'
'-z+1, y+5/4, x+1/4'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x-3/4, y-1/4, -z-1/2'
'x-1/4, -y-1/2, z-3/4'
'-x-1/2, y-3/4, z-1/4'
'-z, -x, -y'
'-z-1/2, x-3/4, y-1/4'
'z-3/4, x-1/4, -y-1/2'
'z-1/4, -x-1/2, y-3/4'
'-y, -z, -x'
'y-1/4, -z-1/2, x-3/4'
'-y-1/2, z-3/4, x-1/4'
'y-3/4, z-1/4, -x-1/2'
'-y-3/4, -x-1/4, z-1/2'
'y, x, z'
'-y-1/4, x-1/2, -z-3/4'
'y-1/2, -x-3/4, -z-1/4'
'-x-3/4, -z-1/4, y-1/2'
'x-1/2, -z-3/4, -y-1/4'
'x, z, y'
'-x-1/4, z-1/2, -y-3/4'
'-z-3/4, -y-1/4, x-1/2'
'-z-1/4, y-1/2, -x-3/4'
'z-1/2, -y-3/4, -x-1/4'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x-3/4, y+1/4, -z'
'x-1/4, -y, z-1/4'
'-x-1/2, y-1/4, z+1/4'
'-z, -x+1/2, -y+1/2'
'-z-1/2, x-1/4, y+1/4'
'z-3/4, x+1/4, -y'
'z-1/4, -x, y-1/4'
'-y, -z+1/2, -x+1/2'
'y-1/4, -z, x-1/4'
'-y-1/2, z-1/4, x+1/4'
'y-3/4, z+1/4, -x'
'-y-3/4, -x+1/4, z'
'y, x+1/2, z+1/2'
'-y-1/4, x, -z-1/4'
'y-1/2, -x-1/4, -z+1/4'
'-x-3/4, -z+1/4, y'
'x-1/2, -z-1/4, -y+1/4'
'x, z+1/2, y+1/2'
'-x-1/4, z, -y-1/4'
'-z-3/4, -y+1/4, x'
'-z-1/4, y, -x-1/4'
'z-1/2, -y-1/4, -x+1/4'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-1/4, -z'
'x+1/4, -y-1/2, z-1/4'
'-x, y-3/4, z+1/4'
'-z+1/2, -x, -y+1/2'
'-z, x-3/4, y+1/4'
'z-1/4, x-1/4, -y'
'z+1/4, -x-1/2, y-1/4'
'-y+1/2, -z, -x+1/2'
'y+1/4, -z-1/2, x-1/4'
'-y, z-3/4, x+1/4'
'y-1/4, z-1/4, -x'
'-y-1/4, -x-1/4, z'
'y+1/2, x, z+1/2'
'-y+1/4, x-1/2, -z-1/4'
'y, -x-3/4, -z+1/4'
'-x-1/4, -z-1/4, y'
'x, -z-3/4, -y+1/4'
'x+1/2, z, y+1/2'
'-x+1/4, z-1/2, -y-1/4'
'-z-1/4, -y-1/4, x'
'-z+1/4, y-1/2, -x-1/4'
'z, -y-3/4, -x+1/4'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x-1/4, y+1/4, -z-1/2'
'x+1/4, -y, z-3/4'
'-x, y-1/4, z-1/4'
'-z+1/2, -x+1/2, -y'
'-z, x-1/4, y-1/4'
'z-1/4, x+1/4, -y-1/2'
'z+1/4, -x, y-3/4'
'-y+1/2, -z+1/2, -x'
'y+1/4, -z, x-3/4'
'-y, z-1/4, x-1/4'
'y-1/4, z+1/4, -x-1/2'
'-y-1/4, -x+1/4, z-1/2'
'y+1/2, x+1/2, z'
'-y+1/4, x, -z-3/4'
'y, -x-1/4, -z-1/4'
'-x-1/4, -z+1/4, y-1/2'
'x, -z-1/4, -y-1/4'
'x+1/2, z+1/2, y'
'-x+1/4, z, -y-3/4'
'-z-1/4, -y+1/4, x-1/2'
'-z+1/4, y, -x-3/4'
'z, -y-1/4, -x-1/4'
'z+1/2, y+1/2, x'
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 0.12632(4) 0.24119(3) 0.50881(3) 0.0646(6) Uani 1 2 d S . .
Cs2 Cs 0.03912(7) 0.31024(7) 0.43976(7) 0.0978(10) Uani 0.62 2 d SP . .
Cs3 Cs 0.1250 0.3971(2) 0.6250 0.0655(19) Uani 0.26 4 d SP . .
Na1 Na 0.2500 0.2500 0.5000 0.09(2) Uani 0.38 12 d SP . .
Na2 Na 0.1250 0.1250 0.6250 0.23(8) Uani 0.49 24 d SP . .
Na3 Na 0.0271(10) 0.4344(13) 0.5271(10) 0.221(16) Uani 0.63 2 d SP . .
As As 0.12513(3) 0.37487(3) 0.5000 0.0254(5) Uani 1 2 d S . .
V1 V 0.06872(5) 0.33507(7) 0.56872(5) 0.0277(6) Uani 1 2 d S . .
V2 V 0.16432(7) 0.31990(5) 0.43010(5) 0.0273(6) Uani 1 2 d S . .
V3 V 0.1250 0.29856(10) 0.6250 0.0287(8) Uani 1 4 d S . .
O1 O 0.12473(17) 0.3164(2) 0.57058(19) 0.0273(14) Uani 1 1 d . . .
O2 O 0.1250 0.1250 0.5004(5) 0.041(4) Uani 1 4 d S . .
O3 O 0.12454(19) 0.4171(2) 0.47251(19) 0.0305(15) Uani 1 1 d . . .
O4 O 0.1242(2) 0.3331(2) 0.4713(2) 0.0337(16) Uani 1 1 d . . .
O5 O 0.0453(2) 0.2996(3) 0.5453(2) 0.045(3) Uani 1 2 d S . .
O6 O 0.1998(3) 0.2970(2) 0.4530(2) 0.039(2) Uani 1 2 d S . .
Cl1 Cl 0.0765(5) 0.1735(5) 0.5765(5) 0.156(9) Uani 0.75 6 d SP . .
Cl2 Cl 0.1775(6) 0.1775(6) 0.5725(6) 0.136(9) Uani 0.65 6 d SP . .
Cl3 Cl -0.0056(11) 0.3791(15) 0.4944(11) 0.134(19) Uani 0.20 2 d SP . .
Cl4 Cl 0.0594(10) 0.4609(5) 0.5594(10) 0.237(19) Uani 0.50 2 d SP . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 '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'
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
O1 Cs1 O1 168.6(2) 186_566 . ?
O1 Cs1 O4 61.57(16) 186_566 186_566 ?
O1 Cs1 O4 107.19(17) . 186_566 ?
O1 Cs1 O4 107.19(17) 186_566 . ?
O1 Cs1 O4 61.57(16) . . ?
O4 Cs1 O4 45.6(2) 186_566 . ?
O1 Cs1 Cl2 95.33(11) 186_566 . ?
O1 Cs1 Cl2 95.33(11) . . ?
O4 Cs1 Cl2 144.3(4) 186_566 . ?
O4 Cs1 Cl2 144.3(4) . . ?
O1 Cs1 O6 48.78(19) 186_566 131_655 ?
O1 Cs1 O6 130.9(2) . 131_655 ?
O4 Cs1 O6 68.23(18) 186_566 131_655 ?
O4 Cs1 O6 98.1(2) . 131_655 ?
Cl2 Cs1 O6 76.1(4) . 131_655 ?
O1 Cs1 O6 130.9(2) 186_566 104_566 ?
O1 Cs1 O6 48.78(19) . 104_566 ?
O4 Cs1 O6 98.1(2) 186_566 104_566 ?
O4 Cs1 O6 68.23(18) . 104_566 ?
Cl2 Cs1 O6 76.1(4) . 104_566 ?
O6 Cs1 O6 82.7(3) 131_655 104_566 ?
O1 Cs1 O5 49.1(2) 186_566 30_445 ?
O1 Cs1 O5 127.0(2) . 30_445 ?
O4 Cs1 O5 66.71(18) 186_566 30_445 ?
O4 Cs1 O5 95.39(19) . 30_445 ?
Cl2 Cs1 O5 120.2(4) . 30_445 ?
O6 Cs1 O5 97.1(2) 131_655 30_445 ?
O6 Cs1 O5 163.3(2) 104_566 30_445 ?
O1 Cs1 O5 127.0(2) 186_566 . ?
O1 Cs1 O5 49.1(2) . . ?
O4 Cs1 O5 95.39(19) 186_566 . ?
O4 Cs1 O5 66.71(18) . . ?
Cl2 Cs1 O5 120.2(4) . . ?
O6 Cs1 O5 163.3(2) 131_655 . ?
O6 Cs1 O5 97.1(2) 104_566 . ?
O5 Cs1 O5 78.3(3) 30_445 . ?
O1 Cs1 O6 86.54(11) 186_566 . ?
O1 Cs1 O6 86.54(11) . . ?
O4 Cs1 O6 48.71(17) 186_566 . ?
O4 Cs1 O6 48.71(17) . . ?
Cl2 Cs1 O6 107.4(5) . . ?
O6 Cs1 O6 52.7(2) 131_655 . ?
O6 Cs1 O6 52.7(2) 104_566 . ?
O5 Cs1 O6 114.36(19) 30_445 . ?
O5 Cs1 O6 114.36(19) . . ?
O1 Cs1 Cl1 94.53(12) 186_566 . ?
O1 Cs1 Cl1 94.53(12) . . ?
O4 Cs1 Cl1 143.9(4) 186_566 . ?
O4 Cs1 Cl1 143.9(4) . . ?
Cl2 Cs1 Cl1 57.1(8) . . ?
O6 Cs1 Cl1 117.8(3) 131_655 . ?
O6 Cs1 Cl1 117.8(3) 104_566 . ?
O5 Cs1 Cl1 77.1(4) 30_445 . ?
O5 Cs1 Cl1 77.1(4) . . ?
O6 Cs1 Cl1 164.5(5) . . ?
O1 Cs1 V2 85.00(12) 186_566 . ?
O1 Cs1 V2 85.00(12) . . ?
O4 Cs1 V2 30.08(11) 186_566 . ?
O4 Cs1 V2 30.08(11) . . ?
Cl2 Cs1 V2 131.6(5) . . ?
O6 Cs1 V2 68.15(16) 131_655 . ?
O6 Cs1 V2 68.15(16) 104_566 . ?
O5 Cs1 V2 96.19(15) 30_445 . ?
O5 Cs1 V2 96.19(15) . . ?
O6 Cs1 V2 24.13(16) . . ?
Cl1 Cs1 V2 171.3(4) . . ?
O4 Cs2 O4 48.6(2) 186_566 . ?
O4 Cs2 Cl3 93.1(9) 186_566 30_445 ?
O4 Cs2 Cl3 141.5(9) . 30_445 ?
O4 Cs2 Cl3 141.5(9) 186_566 . ?
O4 Cs2 Cl3 93.1(9) . . ?
Cl3 Cs2 Cl3 124.6(19) 30_445 . ?
O4 Cs2 O5 68.70(18) 186_566 30_445 ?
O4 Cs2 O5 99.01(19) . 30_445 ?
Cl3 Cs2 O5 63.0(8) 30_445 30_445 ?
Cl3 Cs2 O5 131.7(7) . 30_445 ?
O4 Cs2 O5 99.01(19) 186_566 . ?
O4 Cs2 O5 68.70(18) . . ?
Cl3 Cs2 O5 131.7(7) 30_445 . ?
Cl3 Cs2 O5 63.0(8) . . ?
O5 Cs2 O5 78.4(4) 30_445 . ?
O4 Cs2 Cs3 62.22(16) 186_566 153_565 ?
O4 Cs2 Cs3 62.22(16) . 153_565 ?
Cl3 Cs2 Cs3 100.1(6) 30_445 153_565 ?
Cl3 Cs2 Cs3 100.1(6) . 153_565 ?
O5 Cs2 Cs3 126.94(17) 30_445 153_565 ?
O5 Cs2 Cs3 126.94(17) . 153_565 ?
O4 Cs2 As 70.25(13) 186_566 . ?
O4 Cs2 As 22.02(12) . . ?
Cl3 Cs2 As 161.4(8) 30_445 . ?
Cl3 Cs2 As 71.3(9) . . ?
O5 Cs2 As 115.56(15) 30_445 . ?
O5 Cs2 As 61.74(15) . . ?
Cs3 Cs2 As 65.20(7) 153_565 . ?
O4 Cs2 As 22.02(12) 186_566 131_655 ?
O4 Cs2 As 70.25(13) . 131_655 ?
Cl3 Cs2 As 71.3(9) 30_445 131_655 ?
Cl3 Cs2 As 161.4(8) . 131_655 ?
O5 Cs2 As 61.74(15) 30_445 131_655 ?
O5 Cs2 As 115.56(15) . 131_655 ?
Cs3 Cs2 As 65.20(7) 153_565 131_655 ?
As Cs2 As 91.47(6) . 131_655 ?
O4 Cs2 V2 26.27(12) 186_566 . ?
O4 Cs2 V2 26.27(12) . . ?
Cl3 Cs2 V2 116.1(9) 30_445 . ?
Cl3 Cs2 V2 116.1(9) . . ?
O5 Cs2 V2 91.50(13) 30_445 . ?
O5 Cs2 V2 91.50(13) . . ?
Cs3 Cs2 V2 48.90(10) 153_565 . ?
As Cs2 V2 45.88(3) . . ?
As Cs2 V2 45.88(3) 131_655 . ?
O4 Cs2 Cs1 49.13(14) 186_566 . ?
O4 Cs2 Cs1 49.13(14) . . ?
Cl3 Cs2 Cs1 112.2(9) 30_445 . ?
Cl3 Cs2 Cs1 112.2(9) . . ?
O5 Cs2 Cs1 52.03(14) 30_445 . ?
O5 Cs2 Cs1 52.03(14) . . ?
Cs3 Cs2 Cs1 103.37(11) 153_565 . ?
As Cs2 Cs1 63.52(4) . . ?
As Cs2 Cs1 63.52(4) 131_655 . ?
V2 Cs2 Cs1 54.46(5) . . ?
O4 Cs2 V1 95.54(14) 186_566 . ?
O4 Cs2 V1 55.40(12) . . ?
Cl3 Cs2 V1 150.6(6) 30_445 . ?
Cl3 Cs2 V1 56.0(9) . . ?
O5 Cs2 V1 94.29(19) 30_445 . ?
O5 Cs2 V1 18.93(17) . . ?
Cs3 Cs2 V1 108.85(7) 153_565 . ?
As Cs2 V1 44.11(3) . . ?
As Cs2 V1 116.03(6) 131_655 . ?
V2 Cs2 V1 80.84(4) . . ?
Cs1 Cs2 V1 56.33(4) . . ?
O1 Cs3 O1 46.8(2) . 142_656 ?
O1 Cs3 O1 46.3(2) . 168_455 ?
O1 Cs3 O1 68.0(3) 142_656 168_455 ?
O1 Cs3 O1 68.0(3) . 27_545 ?
O1 Cs3 O1 46.3(2) 142_656 27_545 ?
O1 Cs3 O1 46.8(2) 168_455 27_545 ?
O1 Cs3 V3 34.00(14) . . ?
O1 Cs3 V3 34.00(14) 142_656 . ?
O1 Cs3 V3 34.00(14) 168_455 . ?
O1 Cs3 V3 34.00(14) 27_545 . ?
O1 Cs3 V2 34.70(12) . 104_566 ?
O1 Cs3 V2 34.70(12) 142_656 104_566 ?
O1 Cs3 V2 78.23(19) 168_455 104_566 ?
O1 Cs3 V2 78.23(19) 27_545 104_566 ?
V3 Cs3 V2 51.76(11) . 104_566 ?
O1 Cs3 V2 78.23(19) . 173_556 ?
O1 Cs3 V2 78.23(19) 142_656 173_556 ?
O1 Cs3 V2 34.70(12) 168_455 173_556 ?
O1 Cs3 V2 34.70(12) 27_545 173_556 ?
V3 Cs3 V2 51.76(11) . 173_556 ?
V2 Cs3 V2 103.5(2) 104_566 173_556 ?
O1 Cs3 V1 34.62(12) . . ?
O1 Cs3 V1 78.70(19) 142_656 . ?
O1 Cs3 V1 34.62(12) 168_455 . ?
O1 Cs3 V1 78.70(19) 27_545 . ?
V3 Cs3 V1 52.08(11) . . ?
V2 Cs3 V1 67.65(11) 104_566 . ?
V2 Cs3 V1 67.65(11) 173_556 . ?
O1 Cs3 V1 78.70(19) . 27_545 ?
O1 Cs3 V1 34.62(12) 142_656 27_545 ?
O1 Cs3 V1 78.70(19) 168_455 27_545 ?
O1 Cs3 V1 34.62(12) 27_545 27_545 ?
V3 Cs3 V1 52.08(11) . 27_545 ?
V2 Cs3 V1 67.65(11) 104_566 27_545 ?
V2 Cs3 V1 67.65(11) 173_556 27_545 ?
V1 Cs3 V1 104.2(2) . 27_545 ?
O1 Cs3 O4 48.21(16) . 86_556 ?
O1 Cs3 O4 67.62(17) 142_656 86_556 ?
O1 Cs3 O4 92.9(2) 168_455 86_556 ?
O1 Cs3 O4 109.7(2) 27_545 86_556 ?
V3 Cs3 O4 78.54(16) . 86_556 ?
V2 Cs3 O4 32.94(11) 104_566 86_556 ?
V2 Cs3 O4 126.4(2) 173_556 86_556 ?
V1 Cs3 O4 66.07(12) . 86_556 ?
V1 Cs3 O4 99.28(16) 27_545 86_556 ?
O1 Cs3 O4 67.62(17) . 104_566 ?
O1 Cs3 O4 48.21(16) 142_656 104_566 ?
O1 Cs3 O4 109.7(2) 168_455 104_566 ?
O1 Cs3 O4 92.9(2) 27_545 104_566 ?
V3 Cs3 O4 78.54(16) . 104_566 ?
V2 Cs3 O4 32.94(11) 104_566 104_566 ?
V2 Cs3 O4 126.4(2) 173_556 104_566 ?
V1 Cs3 O4 99.28(16) . 104_566 ?
V1 Cs3 O4 66.07(12) 27_545 104_566 ?
O4 Cs3 O4 42.1(2) 86_556 104_566 ?
O1 Cs3 O4 109.7(2) . 63_454 ?
O1 Cs3 O4 92.9(2) 142_656 63_454 ?
O1 Cs3 O4 67.62(17) 168_455 63_454 ?
O1 Cs3 O4 48.21(16) 27_545 63_454 ?
V3 Cs3 O4 78.54(16) . 63_454 ?
V2 Cs3 O4 126.4(2) 104_566 63_454 ?
V2 Cs3 O4 32.94(11) 173_556 63_454 ?
V1 Cs3 O4 99.28(16) . 63_454 ?
V1 Cs3 O4 66.07(12) 27_545 63_454 ?
O4 Cs3 O4 157.1(3) 86_556 63_454 ?
O4 Cs3 O4 131.5(2) 104_566 63_454 ?
O6 Na1 O6 68.8(2) 131_655 80_545 ?
O6 Na1 O6 180.0(4) 131_655 59_455 ?
O6 Na1 O6 111.2(2) 80_545 59_455 ?
O6 Na1 O6 68.8(2) 131_655 . ?
O6 Na1 O6 111.2(2) 80_545 . ?
O6 Na1 O6 111.2(2) 59_455 . ?
O6 Na1 O6 111.2(2) 131_655 169_556 ?
O6 Na1 O6 68.8(2) 80_545 169_556 ?
O6 Na1 O6 68.8(2) 59_455 169_556 ?
O6 Na1 O6 180.0(3) . 169_556 ?
O6 Na1 O6 111.2(2) 131_655 104_566 ?
O6 Na1 O6 180.0(3) 80_545 104_566 ?
O6 Na1 O6 68.8(2) 59_455 104_566 ?
O6 Na1 O6 68.8(2) . 104_566 ?
O6 Na1 O6 111.2(2) 169_556 104_566 ?
O6 Na1 Cs1 58.7(2) 131_655 131_655 ?
O6 Na1 Cs1 56.03(15) 80_545 131_655 ?
O6 Na1 Cs1 121.3(2) 59_455 131_655 ?
O6 Na1 Cs1 56.03(15) . 131_655 ?
O6 Na1 Cs1 123.97(15) 169_556 131_655 ?
O6 Na1 Cs1 123.97(15) 104_566 131_655 ?
O6 Na1 Cs1 123.97(15) 131_655 169_556 ?
O6 Na1 Cs1 56.03(15) 80_545 169_556 ?
O6 Na1 Cs1 56.03(15) 59_455 169_556 ?
O6 Na1 Cs1 121.3(2) . 169_556 ?
O6 Na1 Cs1 58.7(2) 169_556 169_556 ?
O6 Na1 Cs1 123.97(15) 104_566 169_556 ?
Cs1 Na1 Cs1 81.60(3) 131_655 169_556 ?
O6 Na1 Cs1 123.97(15) 131_655 104_566 ?
O6 Na1 Cs1 121.3(2) 80_545 104_566 ?
O6 Na1 Cs1 56.03(15) 59_455 104_566 ?
O6 Na1 Cs1 56.03(15) . 104_566 ?
O6 Na1 Cs1 123.97(15) 169_556 104_566 ?
O6 Na1 Cs1 58.7(2) 104_566 104_566 ?
Cs1 Na1 Cs1 81.60(3) 131_655 104_566 ?
Cs1 Na1 Cs1 81.60(3) 169_556 104_566 ?
O6 Na1 Cs1 56.03(15) 131_655 . ?
O6 Na1 Cs1 123.97(15) 80_545 . ?
O6 Na1 Cs1 123.97(15) 59_455 . ?
O6 Na1 Cs1 58.7(2) . . ?
O6 Na1 Cs1 121.3(2) 169_556 . ?
O6 Na1 Cs1 56.03(15) 104_566 . ?
Cs1 Na1 Cs1 98.40(3) 131_655 . ?
Cs1 Na1 Cs1 180.0 169_556 . ?
Cs1 Na1 Cs1 98.40(3) 104_566 . ?
O6 Na1 Cs1 56.03(15) 131_655 80_545 ?
O6 Na1 Cs1 58.7(2) 80_545 80_545 ?
O6 Na1 Cs1 123.97(15) 59_455 80_545 ?
O6 Na1 Cs1 123.97(15) . 80_545 ?
O6 Na1 Cs1 56.03(15) 169_556 80_545 ?
O6 Na1 Cs1 121.3(2) 104_566 80_545 ?
Cs1 Na1 Cs1 98.40(3) 131_655 80_545 ?
Cs1 Na1 Cs1 98.40(3) 169_556 80_545 ?
Cs1 Na1 Cs1 180.0 104_566 80_545 ?
Cs1 Na1 Cs1 81.60(3) . 80_545 ?
O6 Na1 Cs1 121.3(2) 131_655 59_455 ?
O6 Na1 Cs1 123.97(15) 80_545 59_455 ?
O6 Na1 Cs1 58.7(2) 59_455 59_455 ?
O6 Na1 Cs1 123.97(15) . 59_455 ?
O6 Na1 Cs1 56.03(15) 169_556 59_455 ?
O6 Na1 Cs1 56.03(15) 104_566 59_455 ?
Cs1 Na1 Cs1 180.0 131_655 59_455 ?
Cs1 Na1 Cs1 98.40(3) 169_556 59_455 ?
Cs1 Na1 Cs1 98.40(3) 104_566 59_455 ?
Cs1 Na1 Cs1 81.60(3) . 59_455 ?
Cs1 Na1 Cs1 81.60(3) 80_545 59_455 ?
Cl1 Na2 Cl1 109.471(5) 50_454 27_545 ?
Cl1 Na2 Cl1 109.5 50_454 . ?
Cl1 Na2 Cl1 109.471(4) 27_545 . ?
Cl1 Na2 Cl1 109.5 50_454 76_446 ?
Cl1 Na2 Cl1 109.471(1) 27_545 76_446 ?
Cl1 Na2 Cl1 109.5 . 76_446 ?
Cl1 Na2 Cl2 70.529(3) 50_454 50_454 ?
Cl1 Na2 Cl2 180.0(10) 27_545 50_454 ?
Cl1 Na2 Cl2 70.529(3) . 50_454 ?
Cl1 Na2 Cl2 70.529(4) 76_446 50_454 ?
Cl1 Na2 Cl2 70.5 50_454 76_446 ?
Cl1 Na2 Cl2 70.529(1) 27_545 76_446 ?
Cl1 Na2 Cl2 180.0(5) . 76_446 ?
Cl1 Na2 Cl2 70.529(2) 76_446 76_446 ?
Cl2 Na2 Cl2 109.5 50_454 76_446 ?
Cl1 Na2 Cl2 70.5 50_454 . ?
Cl1 Na2 Cl2 70.529(1) 27_545 . ?
Cl1 Na2 Cl2 70.529(1) . . ?
Cl1 Na2 Cl2 180.0(4) 76_446 . ?
Cl2 Na2 Cl2 109.471(2) 50_454 . ?
Cl2 Na2 Cl2 109.471(5) 76_446 . ?
Cl1 Na2 Cl2 180.0(5) 50_454 27_545 ?
Cl1 Na2 Cl2 70.529(2) 27_545 27_545 ?
Cl1 Na2 Cl2 70.529(1) . 27_545 ?
Cl1 Na2 Cl2 70.529(2) 76_446 27_545 ?
Cl2 Na2 Cl2 109.5 50_454 27_545 ?
Cl2 Na2 Cl2 109.471(1) 76_446 27_545 ?
Cl2 Na2 Cl2 109.471(3) . 27_545 ?
Cl4 Na3 Cl3 160(3) . . ?
Cl4 Na3 Na3 83(3) . 153_565 ?
Cl3 Na3 Na3 107(2) . 153_565 ?
Cl4 Na3 Na3 83(3) . 173_556 ?
Cl3 Na3 Na3 107(2) . 173_556 ?
Na3 Na3 Na3 117.2(13) 153_565 173_556 ?
Cl4 Na3 O3 86.6(16) . 86_556 ?
Cl3 Na3 O3 75.9(15) . 86_556 ?
Na3 Na3 O3 91.3(4) 153_565 86_556 ?
Na3 Na3 O3 147.9(9) 173_556 86_556 ?
Cl4 Na3 O3 86.6(16) . 173_556 ?
Cl3 Na3 O3 75.9(15) . 173_556 ?
Na3 Na3 O3 147.9(9) 153_565 173_556 ?
Na3 Na3 O3 91.3(5) 173_556 173_556 ?
O3 Na3 O3 57.7(8) 86_556 173_556 ?
Cl4 Na3 Cl4 119.0(17) . 153_565 ?
Cl3 Na3 Cl4 70.6(16) . 153_565 ?
Na3 Na3 Cl4 36.7(13) 153_565 153_565 ?
Na3 Na3 Cl4 123.8(13) 173_556 153_565 ?
O3 Na3 Cl4 87.8(9) 86_556 153_565 ?
O3 Na3 Cl4 137(2) 173_556 153_565 ?
Cl4 Na3 Cl4 119.0(17) . 173_556 ?
Cl3 Na3 Cl4 70.6(16) . 173_556 ?
Na3 Na3 Cl4 123.8(13) 153_565 173_556 ?
Na3 Na3 Cl4 36.7(13) 173_556 173_556 ?
O3 Na3 Cl4 137(2) 86_556 173_556 ?
O3 Na3 Cl4 87.8(9) 173_556 173_556 ?
Cl4 Na3 Cl4 105.4(17) 153_565 173_556 ?
Cl4 Na3 Cs3 45.2(14) . . ?
Cl3 Na3 Cs3 114.8(17) . . ?
Na3 Na3 Cs3 105.7(19) 153_565 . ?
Na3 Na3 Cs3 105.7(19) 173_556 . ?
O3 Na3 Cs3 48.6(7) 86_556 . ?
O3 Na3 Cs3 48.6(7) 173_556 . ?
Cl4 Na3 Cs3 126.8(8) 153_565 . ?
Cl4 Na3 Cs3 126.8(8) 173_556 . ?
O3 As O3 106.1(4) . 86_556 ?
O3 As O4 107.7(3) . 86_556 ?
O3 As O4 112.4(4) 86_556 86_556 ?
O3 As O4 112.4(4) . . ?
O3 As O4 107.7(3) 86_556 . ?
O4 As O4 110.5(5) 86_556 . ?
O3 As Cs2 71.8(2) . 104_566 ?
O3 As Cs2 99.5(2) 86_556 104_566 ?
O4 As Cs2 43.9(2) 86_556 104_566 ?
O4 As Cs2 149.4(2) . 104_566 ?
O3 As Cs2 99.5(2) . . ?
O3 As Cs2 71.8(2) 86_556 . ?
O4 As Cs2 149.4(2) 86_556 . ?
O4 As Cs2 43.9(2) . . ?
Cs2 As Cs2 165.92(7) 104_566 . ?
O3 As Cs3 57.3(2) . 153_565 ?
O3 As Cs3 113.0(3) 86_556 153_565 ?
O4 As Cs3 134.6(3) 86_556 153_565 ?
O4 As Cs3 56.0(2) . 153_565 ?
Cs2 As Cs3 124.89(7) 104_566 153_565 ?
Cs2 As Cs3 52.95(9) . 153_565 ?
O3 As Cs3 113.0(3) . . ?
O3 As Cs3 57.3(2) 86_556 . ?
O4 As Cs3 56.0(2) 86_556 . ?
O4 As Cs3 134.6(3) . . ?
Cs2 As Cs3 52.95(9) 104_566 . ?
Cs2 As Cs3 124.89(7) . . ?
Cs3 As Cs3 165.71(14) 153_565 . ?
O5 V1 O1 104.0(4) . . ?
O5 V1 O1 104.0(4) . 168_455 ?
O1 V1 O1 80.8(4) . 168_455 ?
O5 V1 O3 106.0(4) . 86_556 ?
O1 V1 O3 90.6(3) . 86_556 ?
O1 V1 O3 149.9(3) 168_455 86_556 ?
O5 V1 O3 106.0(4) . 173_556 ?
O1 V1 O3 149.9(3) . 173_556 ?
O1 V1 O3 90.6(3) 168_455 173_556 ?
O3 V1 O3 82.4(4) 86_556 173_556 ?
O5 V1 V3 108.4(4) . . ?
O1 V1 V3 40.40(19) . . ?
O1 V1 V3 40.40(19) 168_455 . ?
O3 V1 V3 125.2(2) 86_556 . ?
O3 V1 V3 125.2(2) 173_556 . ?
O5 V1 Cs3 171.0(4) . . ?
O1 V1 Cs3 69.4(2) . . ?
O1 V1 Cs3 69.4(2) 168_455 . ?
O3 V1 Cs3 80.6(2) 86_556 . ?
O3 V1 Cs3 80.6(2) 173_556 . ?
V3 V1 Cs3 62.56(12) . . ?
O5 V1 Cs1 56.2(2) . . ?
O1 V1 Cs1 48.9(2) . . ?
O1 V1 Cs1 101.6(2) 168_455 . ?
O3 V1 Cs1 93.90(18) 86_556 . ?
O3 V1 Cs1 160.3(2) 173_556 . ?
V3 V1 Cs1 72.52(6) . . ?
Cs3 V1 Cs1 118.06(8) . . ?
O5 V1 Cs1 56.2(2) . 84_455 ?
O1 V1 Cs1 101.6(2) . 84_455 ?
O1 V1 Cs1 48.9(2) 168_455 84_455 ?
O3 V1 Cs1 160.3(2) 86_556 84_455 ?
O3 V1 Cs1 93.90(18) 173_556 84_455 ?
V3 V1 Cs1 72.52(6) . 84_455 ?
Cs3 V1 Cs1 118.06(8) . 84_455 ?
Cs1 V1 Cs1 83.02(6) . 84_455 ?
O5 V1 Cs2 45.3(3) . . ?
O1 V1 Cs2 100.39(19) . . ?
O1 V1 Cs2 149.0(2) 168_455 . ?
O3 V1 Cs2 60.9(2) 86_556 . ?
O3 V1 Cs2 101.6(2) 173_556 . ?
V3 V1 Cs2 132.85(7) . . ?
Cs3 V1 Cs2 140.39(8) . . ?
Cs1 V1 Cs2 60.35(4) . . ?
Cs1 V1 Cs2 101.36(6) 84_455 . ?
O5 V1 Cs2 45.3(3) . 84_455 ?
O1 V1 Cs2 149.0(2) . 84_455 ?
O1 V1 Cs2 100.39(19) 168_455 84_455 ?
O3 V1 Cs2 101.6(2) 86_556 84_455 ?
O3 V1 Cs2 60.9(2) 173_556 84_455 ?
V3 V1 Cs2 132.85(7) . 84_455 ?
Cs3 V1 Cs2 140.39(8) . 84_455 ?
Cs1 V1 Cs2 101.36(6) . 84_455 ?
Cs1 V1 Cs2 60.35(4) 84_455 84_455 ?
Cs2 V1 Cs2 62.92(7) . 84_455 ?
O6 V2 O1 102.3(4) . 131_655 ?
O6 V2 O1 102.3(4) . 86_556 ?
O1 V2 O1 82.5(4) 131_655 86_556 ?
O6 V2 O4 106.0(4) . . ?
O1 V2 O4 151.7(3) 131_655 . ?
O1 V2 O4 91.1(3) 86_556 . ?
O6 V2 O4 106.0(4) . 186_566 ?
O1 V2 O4 91.1(3) 131_655 186_566 ?
O1 V2 O4 151.7(3) 86_556 186_566 ?
O4 V2 O4 81.5(4) . 186_566 ?
O6 V2 V3 106.9(4) . 153_565 ?
O1 V2 V3 41.27(19) 131_655 153_565 ?
O1 V2 V3 41.27(19) 86_556 153_565 ?
O4 V2 V3 126.5(2) . 153_565 ?
O4 V2 V3 126.5(2) 186_566 153_565 ?
O6 V2 Cs3 170.6(4) . 153_565 ?
O1 V2 Cs3 70.9(2) 131_655 153_565 ?
O1 V2 Cs3 70.9(2) 86_556 153_565 ?
O4 V2 Cs3 81.0(2) . 153_565 ?
O4 V2 Cs3 81.0(2) 186_566 153_565 ?
V3 V2 Cs3 63.71(13) 153_565 153_565 ?
O6 V2 Cs1 66.4(4) . . ?
O1 V2 Cs1 138.24(19) 131_655 . ?
O1 V2 Cs1 138.24(19) 86_556 . ?
O4 V2 Cs1 57.5(2) . . ?
O4 V2 Cs1 57.5(2) 186_566 . ?
V3 V2 Cs1 173.37(10) 153_565 . ?
Cs3 V2 Cs1 122.92(12) 153_565 . ?
O6 V2 Cs1 54.0(3) . 104_566 ?
O1 V2 Cs1 102.0(2) 131_655 104_566 ?
O1 V2 Cs1 49.4(2) 86_556 104_566 ?
O4 V2 Cs1 94.4(2) . 104_566 ?
O4 V2 Cs1 157.8(2) 186_566 104_566 ?
V3 V2 Cs1 73.24(6) 153_565 104_566 ?
Cs3 V2 Cs1 120.10(8) 153_565 104_566 ?
Cs1 V2 Cs1 101.86(5) . 104_566 ?
O6 V2 Cs1 54.0(2) . 131_655 ?
O1 V2 Cs1 49.4(2) 131_655 131_655 ?
O1 V2 Cs1 102.0(2) 86_556 131_655 ?
O4 V2 Cs1 157.8(2) . 131_655 ?
O4 V2 Cs1 94.4(2) 186_566 131_655 ?
V3 V2 Cs1 73.24(6) 153_565 131_655 ?
Cs3 V2 Cs1 120.10(8) 153_565 131_655 ?
Cs1 V2 Cs1 101.86(5) . 131_655 ?
Cs1 V2 Cs1 81.28(6) 104_566 131_655 ?
O6 V2 Cs2 131.4(4) . . ?
O1 V2 Cs2 113.6(2) 131_655 . ?
O1 V2 Cs2 113.6(2) 86_556 . ?
O4 V2 Cs2 44.6(2) . . ?
O4 V2 Cs2 44.6(2) 186_566 . ?
V3 V2 Cs2 121.70(10) 153_565 . ?
Cs3 V2 Cs2 57.99(12) 153_565 . ?
Cs1 V2 Cs2 64.92(6) . . ?
Cs1 V2 Cs2 138.48(3) 104_566 . ?
Cs1 V2 Cs2 138.48(3) 131_655 . ?
O2 V3 O1 108.2(2) 59_455 142_656 ?
O2 V3 O1 108.2(2) 59_455 . ?
O1 V3 O1 84.9(4) 142_656 . ?
O2 V3 O1 108.2(2) 59_455 27_545 ?
O1 V3 O1 83.9(4) 142_656 27_545 ?
O1 V3 O1 143.7(4) . 27_545 ?
O2 V3 O1 108.2(2) 59_455 168_455 ?
O1 V3 O1 143.7(4) 142_656 168_455 ?
O1 V3 O1 83.9(4) . 168_455 ?
O1 V3 O1 84.9(4) 27_545 168_455 ?
O2 V3 V2 115.47(8) 59_455 104_566 ?
O1 V3 V2 42.47(18) 142_656 104_566 ?
O1 V3 V2 42.47(18) . 104_566 ?
O1 V3 V2 118.0(2) 27_545 104_566 ?
O1 V3 V2 118.0(2) 168_455 104_566 ?
O2 V3 V2 115.47(8) 59_455 173_556 ?
O1 V3 V2 118.0(2) 142_656 173_556 ?
O1 V3 V2 118.0(2) . 173_556 ?
O1 V3 V2 42.47(18) 27_545 173_556 ?
O1 V3 V2 42.47(18) 168_455 173_556 ?
V2 V3 V2 129.05(15) 104_566 173_556 ?
O2 V3 V1 114.64(8) 59_455 27_545 ?
O1 V3 V1 41.96(18) 142_656 27_545 ?
O1 V3 V1 118.9(2) . 27_545 ?
O1 V3 V1 41.96(18) 27_545 27_545 ?
O1 V3 V1 118.9(2) 168_455 27_545 ?
V2 V3 V1 79.67(5) 104_566 27_545 ?
V2 V3 V1 79.67(5) 173_556 27_545 ?
O2 V3 V1 114.64(8) 59_455 . ?
O1 V3 V1 118.9(2) 142_656 . ?
O1 V3 V1 41.96(18) . . ?
O1 V3 V1 118.9(2) 27_545 . ?
O1 V3 V1 41.96(18) 168_455 . ?
V2 V3 V1 79.67(5) 104_566 . ?
V2 V3 V1 79.67(5) 173_556 . ?
V1 V3 V1 130.71(15) 27_545 . ?
O2 V3 Cs3 180.000(1) 59_455 . ?
O1 V3 Cs3 71.8(2) 142_656 . ?
O1 V3 Cs3 71.8(2) . . ?
O1 V3 Cs3 71.8(2) 27_545 . ?
O1 V3 Cs3 71.8(2) 168_455 . ?
V2 V3 Cs3 64.53(8) 104_566 . ?
V2 V3 Cs3 64.53(8) 173_556 . ?
V1 V3 Cs3 65.36(8) 27_545 . ?
V1 V3 Cs3 65.36(8) . . ?
O2 V3 Cs1 63.72(4) 59_455 59_455 ?
O1 V3 Cs1 44.4(2) 142_656 59_455 ?
O1 V3 Cs1 97.61(18) . 59_455 ?
O1 V3 Cs1 98.25(18) 27_545 59_455 ?
O1 V3 Cs1 171.8(2) 168_455 59_455 ?
V2 V3 Cs1 67.14(4) 104_566 59_455 ?
V2 V3 Cs1 140.29(2) 173_556 59_455 ?
V1 V3 Cs1 67.35(4) 27_545 59_455 ?
V1 V3 Cs1 138.96(2) . 59_455 ?
Cs3 V3 Cs1 116.28(4) . 59_455 ?
O2 V3 Cs1 63.72(4) 59_455 . ?
O1 V3 Cs1 97.61(18) 142_656 . ?
O1 V3 Cs1 44.4(2) . . ?
O1 V3 Cs1 171.8(2) 27_545 . ?
O1 V3 Cs1 98.25(18) 168_455 . ?
V2 V3 Cs1 67.14(4) 104_566 . ?
V2 V3 Cs1 140.29(2) 173_556 . ?
V1 V3 Cs1 138.96(2) 27_545 . ?
V1 V3 Cs1 67.35(4) . . ?
Cs3 V3 Cs1 116.28(4) . . ?
Cs1 V3 Cs1 77.63(5) 59_455 . ?
V3 O1 V2 96.3(3) . 104_566 ?
V3 O1 V1 97.6(3) . . ?
V2 O1 V1 142.3(4) 104_566 . ?
V3 O1 Cs3 74.1(2) . . ?
V2 O1 Cs3 74.4(2) 104_566 . ?
V1 O1 Cs3 76.0(2) . . ?
V3 O1 Cs1 111.2(3) . . ?
V2 O1 Cs1 103.4(2) 104_566 . ?
V1 O1 Cs1 103.9(2) . . ?
Cs3 O1 Cs1 174.5(2) . . ?
As O3 V1 124.8(4) . 153_565 ?
As O3 Na3 125.6(6) . 153_565 ?
V1 O3 Na3 109.5(5) 153_565 153_565 ?
As O3 Cs3 99.6(3) . 153_565 ?
V1 O3 Cs3 66.7(2) 153_565 153_565 ?
Na3 O3 Cs3 97.2(10) 153_565 153_565 ?
As O4 V2 124.6(4) . . ?
As O4 Cs2 114.1(3) . . ?
V2 O4 Cs2 109.1(3) . . ?
As O4 Cs1 123.3(3) . . ?
V2 O4 Cs1 92.4(3) . . ?
Cs2 O4 Cs1 85.41(18) . . ?
As O4 Cs3 101.0(3) . 153_565 ?
V2 O4 Cs3 66.1(2) . 153_565 ?
Cs2 O4 Cs3 67.16(18) . 153_565 ?
Cs1 O4 Cs3 134.8(2) . 153_565 ?
V1 O5 Cs2 115.8(4) . . ?
V1 O5 Cs2 115.8(4) . 84_455 ?
Cs2 O5 Cs2 82.8(2) . 84_455 ?
V1 O5 Cs1 101.5(3) . . ?
Cs2 O5 Cs1 76.02(10) . . ?
Cs2 O5 Cs1 142.3(3) 84_455 . ?
V1 O5 Cs1 101.5(3) . 84_455 ?
Cs2 O5 Cs1 142.3(3) . 84_455 ?
Cs2 O5 Cs1 76.02(10) 84_455 84_455 ?
Cs1 O5 Cs1 102.7(3) . 84_455 ?
V2 O6 Na1 169.5(7) . . ?
V2 O6 Cs1 104.0(3) . 131_655 ?
Na1 O6 Cs1 82.4(2) . 131_655 ?
V2 O6 Cs1 104.0(3) . 104_566 ?
Na1 O6 Cs1 82.4(2) . 104_566 ?
Cs1 O6 Cs1 102.7(3) 131_655 104_566 ?
V2 O6 Cs1 89.4(4) . . ?
Na1 O6 Cs1 80.0(3) . . ?
Cs1 O6 Cs1 125.33(17) 131_655 . ?
Cs1 O6 Cs1 125.33(17) 104_566 . ?
Na2 Cl1 Cs1 117.2(4) . 30_445 ?
Na2 Cl1 Cs1 117.2(4) . . ?
Cs1 Cl1 Cs1 100.7(5) 30_445 . ?
Na2 Cl1 Cs1 117.2(4) . 84_455 ?
Cs1 Cl1 Cs1 100.7(5) 30_445 84_455 ?
Cs1 Cl1 Cs1 100.7(5) . 84_455 ?
Na2 Cl2 Cs1 115.2(5) . 59_455 ?
Na2 Cl2 Cs1 115.2(5) . 80_545 ?
Cs1 Cl2 Cs1 103.2(6) 59_455 80_545 ?
Na2 Cl2 Cs1 115.2(5) . . ?
Cs1 Cl2 Cs1 103.2(6) 59_455 . ?
Cs1 Cl2 Cs1 103.2(6) 80_545 . ?
Na3 Cl3 Cs2 125.5(12) . . ?
Na3 Cl3 Cs2 125.5(12) . 84_455 ?
Cs2 Cl3 Cs2 90.8(13) . 84_455 ?
Na3 Cl4 Na3 60(2) . 153_565 ?
Na3 Cl4 Na3 60(2) . 173_556 ?
Na3 Cl4 Na3 97(3) 153_565 173_556 ?
Na3 Cl4 Cs3 115.4(15) . . ?
Na3 Cl4 Cs3 127.8(9) 153_565 . ?
Na3 Cl4 Cs3 127.8(9) 173_556 . ?
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 O1 3.224(7) 186_566 ?
Cs1 O1 3.224(7) . ?
Cs1 O4 3.289(7) 186_566 ?
Cs1 O4 3.289(7) . ?
Cs1 Cl2 3.432(14) . ?
Cs1 O6 3.445(7) 131_655 ?
Cs1 O6 3.445(7) 104_566 ?
Cs2 O4 3.101(7) 186_566 ?
Cs2 O4 3.101(7) . ?
Cs2 Cl3 3.27(4) 30_445 ?
Cs2 Cl3 3.27(4) . ?
Cs3 O1 3.223(9) . ?
Cs3 O1 3.223(9) 142_656 ?
Cs3 O1 3.223(9) 168_455 ?
Cs3 O1 3.223(9) 27_545 ?
Cs3 V3 3.263(8) . ?
Cs3 V2 3.285(5) 104_566 ?
Cs3 V2 3.285(5) 173_556 ?
Cs3 V1 3.342(5) . ?
Cs3 V1 3.342(5) 27_545 ?
Na1 O6 2.757(10) 131_655 ?
Na1 O6 2.757(10) 80_545 ?
Na1 O6 2.757(10) 59_455 ?
Na1 O6 2.757(10) . ?
Na1 O6 2.757(10) 169_556 ?
Na1 O6 2.757(10) 104_566 ?
Na2 Cl1 2.78(3) 50_454 ?
Na2 Cl1 2.78(3) 27_545 ?
Na2 Cl1 2.78(3) . ?
Na2 Cl1 2.78(3) 76_446 ?
Na2 Cl2 3.01(3) 50_454 ?
Na2 Cl2 3.01(3) 76_446 ?
Na2 Cl2 3.01(3) . ?
Na2 Cl2 3.01(3) 27_545 ?
Na3 Cl4 1.75(5) . ?
Na3 Cl3 2.39(8) . ?
Na3 Na3 2.54(4) 153_565 ?
Na3 Na3 2.54(4) 173_556 ?
Na3 O3 2.69(3) 86_556 ?
Na3 O3 2.69(3) 173_556 ?
Na3 Cl4 2.90(5) 153_565 ?
Na3 Cl4 2.90(5) 173_556 ?
As O3 1.670(6) . ?
As O3 1.670(6) 86_556 ?
As O4 1.678(7) 86_556 ?
As O4 1.678(7) . ?
V1 O5 1.607(11) . ?
V1 O1 1.957(6) . ?
V1 O1 1.957(6) 168_455 ?
V1 O3 1.968(6) 86_556 ?
V1 O3 1.968(6) 173_556 ?
V1 V3 2.900(3) . ?
V2 O6 1.593(10) . ?
V2 O1 1.942(6) 131_655 ?
V2 O1 1.942(6) 86_556 ?
V2 O4 1.954(7) . ?
V2 O4 1.954(7) 186_566 ?
V2 V3 2.859(3) 153_565 ?
V2 Cs3 3.285(5) 153_565 ?
V3 O2 1.622(16) 59_455 ?
V3 O1 1.897(6) 142_656 ?
V3 O1 1.897(6) . ?
V3 O1 1.897(6) 27_545 ?
V3 O1 1.897(6) 168_455 ?
V3 V2 2.859(3) 104_566 ?
V3 V2 2.859(3) 173_556 ?
V3 V1 2.900(3) 27_545 ?
O1 V2 1.942(6) 104_566 ?
O2 V3 1.622(16) 30_445 ?
O3 V1 1.968(6) 153_565 ?
O3 Na3 2.69(3) 153_565 ?
O6 Cs1 3.445(7) 131_655 ?
O6 Cs1 3.445(7) 104_566 ?
Cl2 Cs1 3.432(14) 59_455 ?
Cl2 Cs1 3.432(14) 80_545 ?
Cl3 Cs2 3.27(4) 84_455 ?
Cl4 Na3 2.90(5) 153_565 ?
Cl4 Na3 2.90(5) 173_556 ?
