#------------------------------------------------------------------------------
#$Date: 2015-10-09 12:12:39 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161434 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/61/7036157.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_7036157
loop_
_publ_author_name
'Molina, P. I.'
'Sures, D. J.'
'Miró, P'
'Zakharov, L. N.'
'Nyman, M.'
_publ_section_title
;
 Bridging the opposite chemistries of tantalum and tungsten
 polyoxometalates.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15813
_journal_page_last               15822
_journal_paper_doi               10.1039/c5dt02290h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'Cs4 H12 Na O25 Ta3 W3'
_chemical_formula_weight         2061.13
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-04-24 deposited with the CCDC.
2015-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.3948(3)
_cell_length_b                   9.3948(3)
_cell_length_c                   28.2796(11)
_cell_measurement_reflns_used    6850
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      36.82
_cell_measurement_theta_min      2.60
_cell_volume                     2161.62(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0768
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_laue_measured_fraction_full 0.994
_diffrn_reflns_laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            14994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         37.147
_diffrn_reflns_theta_min         2.160
_diffrn_source                   'sealed tube plus triumph'
_exptl_absorpt_coefficient_mu    28.348
_exptl_absorpt_correction_T_max  0.7473
_exptl_absorpt_correction_T_min  0.3904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.750
_exptl_crystal_description       block
_exptl_crystal_F_000             2652
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.040
_refine_diff_density_max         3.436
_refine_diff_density_min         -3.627
_refine_diff_density_rms         0.502
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     57
_refine_ls_number_reflns         2432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0359P)²+45.6163P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0849
_refine_ls_wR_factor_ref         0.0880
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2087
_reflns_number_total             2432
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt02290h2.cif
_cod_data_source_block           mo_may54_0m
_cod_depositor_comments
'Adding full bibliography for 7036154--7036157.cif.'
_cod_original_cell_volume        2161.62(16)
_cod_database_code               7036157
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.093
_shelx_estimated_absorpt_t_max   0.397
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
W1 W 0.23164(3) 0.16104(3) 0.04797(2) 0.00901(7) Uani 0.5 1 d . . P
Ta1 Ta 0.23164(3) 0.16104(3) 0.04797(2) 0.00901(7) Uani 0.5 1 d . . P
Cs1 Cs 0.3333 0.6667 0.02024(2) 0.01592(12) Uani 1 3 d S T P
Cs2 Cs 0.0000 0.0000 0.17538(2) 0.02191(14) Uani 1 3 d S T P
Na1 Na 0.3333 0.6667 0.1667 0.0168(12) Uani 1 6 d S T P
O1 O 0.0000 0.0000 0.0000 0.0069(14) Uani 1 6 d S T P
O2 O 0.1289(6) -0.0570(6) 0.07787(16) 0.0162(8) Uani 1 1 d . . .
O3 O 0.2442(5) 0.3130(5) 0.00004(17) 0.0160(8) Uani 1 1 d . . .
O4 O 0.4060(12) 0.2819(12) 0.0836(4) 0.080(4) Uani 1 1 d . . .
O1S O 0.3781(8) 0.8898(9) 0.1163(3) 0.0378(17) Uani 1 1 d . . .
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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ta Ta -0.7052 6.5227 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O4 W1 O3 103.3(4) . .
O4 W1 O3 103.8(5) . 11
O3 W1 O3 86.98(5) . 11
O4 W1 O2 103.8(5) . 2
O3 W1 O2 87.71(19) . 2
O3 W1 O2 152.38(19) 11 2
O4 W1 O2 103.8(4) . .
O3 W1 O2 152.85(19) . .
O3 W1 O2 86.22(19) 11 .
O2 W1 O2 86.3(3) 2 .
O4 W1 O1 179.6(4) . .
O3 W1 O1 76.48(13) . .
O3 W1 O1 75.93(13) 11 .
O2 W1 O1 76.48(13) 2 .
O2 W1 O1 76.38(14) . .
O4 W1 Cs1 65.8(4) . 10_665
O3 W1 Cs1 72.16(13) . 10_665
O3 W1 Cs1 46.26(13) 11 10_665
O2 W1 Cs1 153.41(14) 2 10_665
O2 W1 Cs1 119.50(14) . 10_665
O1 W1 Cs1 113.875(11) . 10_665
O4 W1 Cs2 83.5(4) . .
O3 W1 Cs2 135.85(14) . .
O3 W1 Cs2 134.43(13) 11 .
O2 W1 Cs2 48.84(14) 2 .
O2 W1 Cs2 48.88(14) . .
O1 W1 Cs2 96.879(8) . .
Cs1 W1 Cs2 144.201(11) 10_665 .
O4 W1 Cs1 77.2(3) . .
O3 W1 Cs1 34.91(13) . .
O3 W1 Cs1 115.44(13) 11 .
O2 W1 Cs1 72.10(14) 2 .
O2 W1 Cs1 157.72(14) . .
O1 W1 Cs1 102.788(9) . .
Cs1 W1 Cs1 81.574(5) 10_665 .
Cs2 W1 Cs1 110.057(9) . .
O3 Cs1 O3 116.57(6) 3_565 2_665
O3 Cs1 O3 116.57(6) 3_565 .
O3 Cs1 O3 116.57(6) 2_665 .
O3 Cs1 O1S 136.01(14) 3_565 3_565
O3 Cs1 O1S 80.98(13) 2_665 3_565
O3 Cs1 O1S 84.05(15) . 3_565
O3 Cs1 O1S 84.05(15) 3_565 2_665
O3 Cs1 O1S 136.01(14) 2_665 2_665
O3 Cs1 O1S 80.98(13) . 2_665
O1S Cs1 O1S 60.02(16) 3_565 2_665
O3 Cs1 O1S 80.98(13) 3_565 .
O3 Cs1 O1S 84.05(15) 2_665 .
O3 Cs1 O1S 136.01(14) . .
O1S Cs1 O1S 60.01(16) 3_565 .
O1S Cs1 O1S 60.01(16) 2_665 .
O3 Cs1 O4 78.26(18) 3_565 12
O3 Cs1 O4 113.16(17) 2_665 12
O3 Cs1 O4 50.48(15) . 12
O1S Cs1 O4 134.37(16) 3_565 12
O1S Cs1 O4 108.80(16) 2_665 12
O1S Cs1 O4 157.5(2) . 12
O3 Cs1 O4 50.48(15) 3_565 11_565
O3 Cs1 O4 78.26(18) 2_665 11_565
O3 Cs1 O4 113.15(17) . 11_565
O1S Cs1 O4 157.5(2) 3_565 11_565
O1S Cs1 O4 134.37(16) 2_665 11_565
O1S Cs1 O4 108.80(16) . 11_565
O4 Cs1 O4 63.51(18) 12 11_565
O3 Cs1 O4 113.16(17) 3_565 10_665
O3 Cs1 O4 50.48(15) 2_665 10_665
O3 Cs1 O4 78.26(18) . 10_665
O1S Cs1 O4 108.80(16) 3_565 10_665
O1S Cs1 O4 157.5(2) 2_665 10_665
O1S Cs1 O4 134.37(16) . 10_665
O4 Cs1 O4 63.51(18) 12 10_665
O4 Cs1 O4 63.51(18) 11_565 10_665
O3 Cs1 W1 27.69(9) 3_565 11_565
O3 Cs1 W1 91.07(9) 2_665 11_565
O3 Cs1 W1 126.81(9) . 11_565
O1S Cs1 W1 147.71(11) 3_565 11_565
O1S Cs1 W1 110.64(11) 2_665 11_565
O1S Cs1 W1 88.16(10) . 11_565
O4 Cs1 W1 77.49(13) 12 11_565
O4 Cs1 W1 25.85(10) 11_565 11_565
O4 Cs1 W1 89.00(16) 10_665 11_565
O3 Cs1 Ta1 27.69(9) 3_565 11_565
O3 Cs1 Ta1 91.07(9) 2_665 11_565
O3 Cs1 Ta1 126.81(9) . 11_565
O1S Cs1 Ta1 147.71(11) 3_565 11_565
O1S Cs1 Ta1 110.64(11) 2_665 11_565
O1S Cs1 Ta1 88.16(10) . 11_565
O4 Cs1 Ta1 77.49(13) 12 11_565
O4 Cs1 Ta1 25.85(10) 11_565 11_565
O4 Cs1 Ta1 89.00(16) 10_665 11_565
W1 Cs1 Ta1 0.000(7) 11_565 11_565
O3 Cs1 W1 91.07(9) 3_565 12
O3 Cs1 W1 126.81(9) 2_665 12
O3 Cs1 W1 27.69(9) . 12
O1S Cs1 W1 110.64(11) 3_565 12
O1S Cs1 W1 88.16(10) 2_665 12
O1S Cs1 W1 147.71(11) . 12
O4 Cs1 W1 25.85(10) 12 12
O4 Cs1 W1 89.00(16) 11_565 12
O4 Cs1 W1 77.49(13) 10_665 12
W1 Cs1 W1 99.221(12) 11_565 12
Ta1 Cs1 W1 99.221(12) 11_565 12
O4 Cs2 O4 78.4(4) 13 15_445
O4 Cs2 O4 78.4(4) 13 14_455
O4 Cs2 O4 78.4(4) 15_445 14_455
O4 Cs2 O2 106.3(3) 13 .
O4 Cs2 O2 127.4(2) 15_445 .
O4 Cs2 O2 154.1(3) 14_455 .
O4 Cs2 O2 154.1(3) 13 3
O4 Cs2 O2 106.3(3) 15_445 3
O4 Cs2 O2 127.4(2) 14_455 3
O2 Cs2 O2 50.22(14) . 3
O4 Cs2 O2 127.4(2) 13 2
O4 Cs2 O2 154.1(3) 15_445 2
O4 Cs2 O2 106.3(3) 14_455 2
O2 Cs2 O2 50.22(14) . 2
O2 Cs2 O2 50.22(14) 3 2
O4 Cs2 W1 108.0(2) 13 .
O4 Cs2 W1 155.1(2) 15_445 .
O4 Cs2 W1 126.2(2) 14_455 .
O2 Cs2 W1 27.92(8) . .
O2 Cs2 W1 57.54(8) 3 .
O2 Cs2 W1 27.81(9) 2 .
O4 Cs2 Ta1 126.2(2) 13 3
O4 Cs2 Ta1 108.0(2) 15_445 3
O4 Cs2 Ta1 155.1(2) 14_455 3
O2 Cs2 Ta1 27.81(9) . 3
O2 Cs2 Ta1 27.92(8) 3 3
O2 Cs2 Ta1 57.54(8) 2 3
W1 Cs2 Ta1 48.313(9) . 3
O4 Cs2 W1 126.2(2) 13 3
O4 Cs2 W1 108.0(2) 15_445 3
O4 Cs2 W1 155.1(2) 14_455 3
O2 Cs2 W1 27.81(9) . 3
O2 Cs2 W1 27.92(8) 3 3
O2 Cs2 W1 57.54(8) 2 3
W1 Cs2 W1 48.313(9) . 3
Ta1 Cs2 W1 0.000(7) 3 3
O4 Cs2 W1 155.1(2) 13 2
O4 Cs2 W1 126.2(2) 15_445 2
O4 Cs2 W1 108.0(2) 14_455 2
O2 Cs2 W1 57.54(8) . 2
O2 Cs2 W1 27.81(9) 3 2
O2 Cs2 W1 27.92(8) 2 2
W1 Cs2 W1 48.313(9) . 2
Ta1 Cs2 W1 48.313(9) 3 2
W1 Cs2 W1 48.313(9) 3 2
O4 Cs2 Ta1 155.1(2) 13 2
O4 Cs2 Ta1 126.2(2) 15_445 2
O4 Cs2 Ta1 108.0(2) 14_455 2
O2 Cs2 Ta1 57.54(8) . 2
O2 Cs2 Ta1 27.81(9) 3 2
O2 Cs2 Ta1 27.92(8) 2 2
W1 Cs2 Ta1 48.313(9) . 2
Ta1 Cs2 Ta1 48.313(9) 3 2
W1 Cs2 Ta1 48.313(9) 3 2
W1 Cs2 Ta1 0.000(7) 2 2
O1S Na1 O1S 88.1(3) . 3_565
O1S Na1 O1S 88.1(3) . 2_665
O1S Na1 O1S 88.1(3) 3_565 2_665
O1S Na1 O1S 91.9(3) . 15
O1S Na1 O1S 180.0 3_565 15
O1S Na1 O1S 91.9(3) 2_665 15
O1S Na1 O1S 91.9(3) . 14_455
O1S Na1 O1S 91.9(3) 3_565 14_455
O1S Na1 O1S 180.0 2_665 14_455
O1S Na1 O1S 88.1(3) 15 14_455
O1S Na1 O1S 180.0(3) . 13_565
O1S Na1 O1S 91.9(3) 3_565 13_565
O1S Na1 O1S 91.9(3) 2_665 13_565
O1S Na1 O1S 88.1(3) 15 13_565
O1S Na1 O1S 88.1(3) 14_455 13_565
O1S Na1 Cs1 53.4(2) . .
O1S Na1 Cs1 53.4(2) 3_565 .
O1S Na1 Cs1 53.4(2) 2_665 .
O1S Na1 Cs1 126.6(2) 15 .
O1S Na1 Cs1 126.6(2) 14_455 .
O1S Na1 Cs1 126.6(2) 13_565 .
O1S Na1 Cs1 126.6(2) . 13_565
O1S Na1 Cs1 126.6(2) 3_565 13_565
O1S Na1 Cs1 126.6(2) 2_665 13_565
O1S Na1 Cs1 53.4(2) 15 13_565
O1S Na1 Cs1 53.4(2) 14_455 13_565
O1S Na1 Cs1 53.4(2) 13_565 13_565
Cs1 Na1 Cs1 180.0 . 13_565
Ta1 O1 W1 0.000(12) 10 10
Ta1 O1 Ta1 90.264(8) 10 12
W1 O1 Ta1 90.264(8) 10 12
Ta1 O1 Ta1 89.736(8) 10 3
W1 O1 Ta1 89.736(8) 10 3
Ta1 O1 Ta1 180.000(13) 12 3
Ta1 O1 W1 89.736(8) 10 2
W1 O1 W1 89.736(8) 10 2
Ta1 O1 W1 89.736(8) 12 2
Ta1 O1 W1 90.264(8) 3 2
Ta1 O1 W1 90.264(8) 10 11
W1 O1 W1 90.264(8) 10 11
Ta1 O1 W1 90.264(8) 12 11
Ta1 O1 W1 89.736(8) 3 11
W1 O1 W1 180.000(11) 2 11
Ta1 O1 W1 89.736(8) 10 3
W1 O1 W1 89.736(8) 10 3
Ta1 O1 W1 180.000(13) 12 3
Ta1 O1 W1 0.000(13) 3 3
W1 O1 W1 90.264(8) 2 3
W1 O1 W1 89.736(8) 11 3
Ta1 O1 W1 90.264(8) 10 12
W1 O1 W1 90.264(8) 10 12
Ta1 O1 W1 0.000(13) 12 12
Ta1 O1 W1 180.000(13) 3 12
W1 O1 W1 89.736(8) 2 12
W1 O1 W1 90.264(8) 11 12
W1 O1 W1 180.000(13) 3 12
Ta1 O1 Ta1 90.264(8) 10 11
W1 O1 Ta1 90.264(8) 10 11
Ta1 O1 Ta1 90.264(8) 12 11
Ta1 O1 Ta1 89.736(8) 3 11
W1 O1 Ta1 180.000(11) 2 11
W1 O1 Ta1 0.000(11) 11 11
W1 O1 Ta1 89.736(8) 3 11
W1 O1 Ta1 90.264(8) 12 11
Ta1 O1 Ta1 89.736(8) 10 2
W1 O1 Ta1 89.736(8) 10 2
Ta1 O1 Ta1 89.736(8) 12 2
Ta1 O1 Ta1 90.264(8) 3 2
W1 O1 Ta1 0.000(11) 2 2
W1 O1 Ta1 180.000(11) 11 2
W1 O1 Ta1 90.264(8) 3 2
W1 O1 Ta1 89.736(8) 12 2
Ta1 O1 Ta1 180.000(11) 11 2
Ta1 O1 W1 180.0 10 .
W1 O1 W1 180.0 10 .
Ta1 O1 W1 89.737(8) 12 .
Ta1 O1 W1 90.263(8) 3 .
W1 O1 W1 90.264(8) 2 .
W1 O1 W1 89.736(8) 11 .
W1 O1 W1 90.263(8) 3 .
W1 O1 W1 89.737(8) 12 .
Ta1 O1 W1 89.736(8) 11 .
Ta1 O1 W1 90.264(8) 2 .
Ta1 O2 W1 0.00(2) 3 3
Ta1 O2 W1 116.9(2) 3 .
W1 O2 W1 116.9(2) 3 .
Ta1 O2 Cs2 103.35(18) 3 .
W1 O2 Cs2 103.35(18) 3 .
W1 O2 Cs2 103.20(18) . .
W1 O3 Ta1 117.8(2) . 12
W1 O3 W1 117.8(2) . 12
Ta1 O3 W1 0.000(15) 12 12
W1 O3 Cs1 123.9(2) . .
Ta1 O3 Cs1 106.05(18) 12 .
W1 O3 Cs1 106.05(18) 12 .
W1 O4 Cs2 154.0(5) . 13
W1 O4 Cs1 88.4(4) . 10_665
Cs2 O4 Cs1 95.7(3) 13 10_665
Na1 O1S Cs1 91.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O4 1.768(6) .
W1 O3 1.929(5) .
W1 O3 1.960(5) 11
W1 O2 1.961(5) 2
W1 O2 1.966(5) .
W1 O1 2.3607(2) .
W1 Cs1 4.0533(4) 10_665
W1 Cs2 4.0884(7) .
W1 Cs1 4.4220(3) .
Cs1 O3 3.047(4) 3_565
Cs1 O3 3.047(4) 2_665
Cs1 O3 3.047(4) .
Cs1 O1S 3.326(8) 3_565
Cs1 O1S 3.326(8) 2_665
Cs1 O1S 3.326(8) .
Cs1 O4 3.698(13) 12
Cs1 O4 3.698(13) 11_565
Cs1 O4 3.698(13) 10_665
Cs1 W1 4.0534(4) 11_565
Cs1 Ta1 4.0534(4) 11_565
Cs1 W1 4.0534(4) 12
Cs2 O4 3.077(7) 13
Cs2 O4 3.077(7) 15_445
Cs2 O4 3.077(7) 14_455
Cs2 O2 3.163(5) .
Cs2 O2 3.163(5) 3
Cs2 O2 3.163(5) 2
Cs2 Ta1 4.0884(7) 3
Cs2 W1 4.0884(7) 3
Cs2 W1 4.0884(7) 2
Cs2 Ta1 4.0884(7) 2
Na1 O1S 2.392(6) .
Na1 O1S 2.392(6) 3_565
Na1 O1S 2.392(6) 2_665
Na1 O1S 2.392(6) 15
Na1 O1S 2.392(6) 14_455
Na1 O1S 2.392(6) 13_565
Na1 Cs1 4.1409(7) 13_565
O1 Ta1 2.3607(2) 10
O1 W1 2.3607(2) 10
O1 Ta1 2.3607(2) 12
O1 Ta1 2.3607(2) 3
O1 W1 2.3607(2) 2
O1 W1 2.3607(2) 11
O1 W1 2.3607(2) 3
O1 W1 2.3607(2) 12
O1 Ta1 2.3607(2) 11
O1 Ta1 2.3607(2) 2
O2 Ta1 1.961(5) 3
O2 W1 1.961(5) 3
O3 Ta1 1.960(5) 12
O3 W1 1.960(5) 12
O4 Cs2 3.077(7) 13
O4 Cs1 3.697(13) 10_665
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O3 W1 O4 Cs2 -162.8(14) . 13
O3 W1 O4 Cs2 -72.7(15) 11 13
O2 W1 O4 Cs2 106.3(14) 2 13
O2 W1 O4 Cs2 16.8(16) . 13
Cs1 W1 O4 Cs2 -99.7(15) 10_665 13
Cs2 W1 O4 Cs2 61.5(14) . 13
Cs1 W1 O4 Cs2 173.9(16) . 13
O3 W1 O4 Cs1 -63.1(3) . 10_665
O3 W1 O4 Cs1 27.0(3) 11 10_665
O2 W1 O4 Cs1 -154.04(17) 2 10_665
O2 W1 O4 Cs1 116.4(2) . 10_665
Cs2 W1 O4 Cs1 161.2(2) . 10_665
Cs1 W1 O4 Cs1 -86.43(17) . 10_665
