#------------------------------------------------------------------------------
#$Date: 2015-09-06 00:03:25 +0300 (Sun, 06 Sep 2015) $
#$Revision: 154592 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/34/4513481.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_4513481
loop_
_publ_author_name
'Zhao, Peng'
'Cong, Hengjiang'
'Tian, Xiangxin'
'Sun, Youxuan'
'Zhang, Chengqian'
'Xia, Shengqing'
'Gao, Zeliang'
'Tao, Xutang'
_publ_section_title
;
 Top-Seeded Solution Growth, Structure, Morphology, and Functional
 Properties of a New Polar Crystal --- Cs2TeW3O12
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4484
_journal_paper_doi               10.1021/acs.cgd.5b00753
_journal_volume                  15
_journal_year                    2015
_chemical_formula_iupac          'Cs2 Te W3 O12'
_chemical_formula_moiety         'O12 Te W3, 2(Cs)'
_chemical_formula_sum            'Cs2 O12 Te W3'
_chemical_formula_weight         1136.97
_chemical_melting_point          1092
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_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                120.00
_cell_formula_units_Z            2
_cell_length_a                   7.3279(3)
_cell_length_b                   7.3279(3)
_cell_length_c                   12.4075(5)
_cell_measurement_reflns_used    9657
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      42.76
_cell_measurement_theta_min      3.21
_cell_volume                     577.00(4)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9290
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         3.21
_exptl_absorpt_coefficient_mu    38.583
_exptl_absorpt_correction_T_max  0.1400
_exptl_absorpt_correction_T_min  0.0974
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'APEX2 Software Suite (Bruker,2005)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    6.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Ball
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.790
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.136
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.003(8)
_refine_ls_extinction_coef       0.0159(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.178
_refine_ls_matrix_type           full
_refine_ls_number_parameters     56
_refine_ls_number_reflns         838
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.177
_refine_ls_R_factor_all          0.0129
_refine_ls_R_factor_gt           0.0124
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.5582P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0247
_refine_ls_wR_factor_ref         0.0248
_reflns_number_gt                826
_reflns_number_total             838
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b00753_si_001.cif
_cod_data_source_block           Cs2TeW3O12
_cod_depositor_comments          'Adding full bibliography for 4513481.cif.'
_cod_database_code               4513481
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
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
W1 W 0.85407(2) 1.19280(2) 0.280183(18) 0.00817(8) Uani 1 1 d .
Te2 Te 0.0000 0.0000 0.51674(5) 0.00923(12) Uani 1 3 d S
Cs1 Cs 0.3333 0.6667 0.44367(5) 0.01742(16) Uani 1 3 d S
Cs2 Cs 0.3333 0.6667 0.08680(7) 0.02841(19) Uani 1 3 d S
O1 O 1.1267(4) 1.2493(4) 0.2706(5) 0.0128(6) Uani 1 1 d .
O2 O 0.9117(5) 1.4600(5) 0.3184(3) 0.0125(7) Uani 1 1 d .
O3 O 0.2620(6) 0.1336(5) 0.4449(3) 0.0119(7) Uani 1 1 d .
O4 O 0.8058(6) 1.1958(6) 0.1425(4) 0.0157(7) 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'
Te Te -0.5308 1.6751 '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'
W W -0.8490 6.8722 '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 O1 97.9(2) . .
O4 W1 O2 100.28(17) . .
O1 W1 O2 97.57(14) . .
O4 W1 O2 92.36(17) . 3_575
O1 W1 O2 167.21(18) . 3_575
O2 W1 O2 88.0(2) . 3_575
O4 W1 O1 89.7(2) . 2_765
O1 W1 O1 89.85(16) . 2_765
O2 W1 O1 166.6(2) . 2_765
O2 W1 O1 82.64(13) 3_575 2_765
O4 W1 O3 169.04(16) . 2_665
O1 W1 O3 87.1(2) . 2_665
O2 W1 O3 88.60(16) . 2_665
O2 W1 O3 81.47(14) 3_575 2_665
O1 W1 O3 80.60(18) 2_765 2_665
O4 W1 Cs1 125.09(12) . 1_665
O1 W1 Cs1 57.09(13) . 1_665
O2 W1 Cs1 47.13(10) . 1_665
O2 W1 Cs1 121.91(11) 3_575 1_665
O1 W1 Cs1 132.27(12) 2_765 1_665
O3 W1 Cs1 65.78(9) 2_665 1_665
O4 W1 Cs2 61.70(12) . 1_665
O1 W1 Cs2 54.13(13) . 1_665
O2 W1 Cs2 67.67(12) . 1_665
O2 W1 Cs2 138.44(10) 3_575 1_665
O1 W1 Cs2 125.47(13) 2_765 1_665
O3 W1 Cs2 128.41(9) 2_665 1_665
Cs1 W1 Cs2 64.639(14) 1_665 1_665
O4 W1 Cs1 112.01(12) . .
O1 W1 Cs1 127.37(12) . .
O2 W1 Cs1 117.09(12) . .
O2 W1 Cs1 40.59(10) 3_575 .
O1 W1 Cs1 50.10(12) 2_765 .
O3 W1 Cs1 57.68(9) 2_665 .
Cs1 W1 Cs1 121.970(18) 1_665 .
Cs2 W1 Cs1 173.319(14) 1_665 .
O4 W1 Cs2 139.85(14) . 4_675
O1 W1 Cs2 116.27(17) . 4_675
O2 W1 Cs2 56.98(12) . 4_675
O2 W1 Cs2 57.58(11) 3_575 4_675
O1 W1 Cs2 109.70(15) 2_765 4_675
O3 W1 Cs2 42.08(10) 2_665 4_675
Cs1 W1 Cs2 66.297(8) 1_665 4_675
Cs2 W1 Cs2 122.201(8) 1_665 4_675
Cs1 W1 Cs2 63.832(8) . 4_675
O3 Te2 O3 99.52(15) 3 2
O3 Te2 O3 99.52(15) 3 .
O3 Te2 O3 99.52(15) 2 .
O3 Te2 Cs2 121.20(10) 3 4_665
O3 Te2 Cs2 122.37(10) 2 4_665
O3 Te2 Cs2 39.80(12) . 4_665
O3 Te2 Cs2 39.80(12) 3 4
O3 Te2 Cs2 121.20(10) 2 4
O3 Te2 Cs2 122.37(10) . 4
Cs2 Te2 Cs2 116.056(10) 4_665 4
O3 Te2 Cs2 122.37(10) 3 4_565
O3 Te2 Cs2 39.80(12) 2 4_565
O3 Te2 Cs2 121.20(10) . 4_565
Cs2 Te2 Cs2 116.055(10) 4_665 4_565
Cs2 Te2 Cs2 116.055(10) 4 4_565
O3 Te2 Cs1 58.58(10) 3 1_445
O3 Te2 Cs1 57.42(10) 2 1_445
O3 Te2 Cs1 139.72(12) . 1_445
Cs2 Te2 Cs1 179.52(2) 4_665 1_445
Cs2 Te2 Cs1 64.104(5) 4 1_445
Cs2 Te2 Cs1 64.106(5) 4_565 1_445
O3 Te2 Cs1 139.72(12) 3 .
O3 Te2 Cs1 58.58(10) 2 .
O3 Te2 Cs1 57.42(10) . .
Cs2 Te2 Cs1 64.105(5) 4_665 .
Cs2 Te2 Cs1 179.52(2) 4 .
Cs2 Te2 Cs1 64.105(5) 4_565 .
Cs1 Te2 Cs1 115.731(9) 1_445 .
O3 Te2 Cs1 57.42(10) 3 1_545
O3 Te2 Cs1 139.72(12) 2 1_545
O3 Te2 Cs1 58.58(10) . 1_545
Cs2 Te2 Cs1 64.106(5) 4_665 1_545
Cs2 Te2 Cs1 64.105(5) 4 1_545
Cs2 Te2 Cs1 179.52(2) 4_565 1_545
Cs1 Te2 Cs1 115.730(9) 1_445 1_545
Cs1 Te2 Cs1 115.731(9) . 1_545
O4 Cs1 O4 60.30(14) 4_675 6_655
O4 Cs1 O4 60.30(14) 4_675 5_455
O4 Cs1 O4 60.30(14) 6_655 5_455
O4 Cs1 O2 98.74(10) 4_675 1_445
O4 Cs1 O2 155.59(12) 6_655 1_445
O4 Cs1 O2 99.49(10) 5_455 1_445
O4 Cs1 O2 99.49(10) 4_675 3_575
O4 Cs1 O2 98.74(10) 6_655 3_575
O4 Cs1 O2 155.59(12) 5_455 3_575
O2 Cs1 O2 96.99(10) 1_445 3_575
O4 Cs1 O2 155.59(12) 4_675 2_765
O4 Cs1 O2 99.49(10) 6_655 2_765
O4 Cs1 O2 98.74(10) 5_455 2_765
O2 Cs1 O2 96.99(10) 1_445 2_765
O2 Cs1 O2 96.99(10) 3_575 2_765
O4 Cs1 O1 137.67(10) 4_675 1_445
O4 Cs1 O1 137.51(9) 6_655 1_445
O4 Cs1 O1 93.59(11) 5_455 1_445
O2 Cs1 O1 50.05(8) 1_445 1_445
O2 Cs1 O1 110.81(12) 3_575 1_445
O2 Cs1 O1 48.54(8) 2_765 1_445
O4 Cs1 O1 137.51(9) 4_675 2_765
O4 Cs1 O1 93.59(11) 6_655 2_765
O4 Cs1 O1 137.67(9) 5_455 2_765
O2 Cs1 O1 110.81(12) 1_445 2_765
O2 Cs1 O1 48.54(8) 3_575 2_765
O2 Cs1 O1 50.05(8) 2_765 2_765
O1 Cs1 O1 84.55(12) 1_445 2_765
O4 Cs1 O1 93.59(11) 4_675 3_575
O4 Cs1 O1 137.67(10) 6_655 3_575
O4 Cs1 O1 137.51(9) 5_455 3_575
O2 Cs1 O1 48.54(8) 1_445 3_575
O2 Cs1 O1 50.05(8) 3_575 3_575
O2 Cs1 O1 110.81(12) 2_765 3_575
O1 Cs1 O1 84.55(12) 1_445 3_575
O1 Cs1 O1 84.55(12) 2_765 3_575
O4 Cs1 O3 57.42(10) 4_675 3_565
O4 Cs1 O3 117.26(10) 6_655 3_565
O4 Cs1 O3 94.01(9) 5_455 3_565
O2 Cs1 O3 46.08(9) 1_445 3_565
O2 Cs1 O3 84.57(8) 3_575 3_565
O2 Cs1 O3 142.63(9) 2_765 3_565
O1 Cs1 O3 95.90(7) 1_445 3_565
O1 Cs1 O3 128.29(9) 2_765 3_565
O1 Cs1 O3 44.40(9) 3_575 3_565
O4 Cs1 O3 94.01(9) 4_675 2_665
O4 Cs1 O3 57.42(10) 6_655 2_665
O4 Cs1 O3 117.26(10) 5_455 2_665
O2 Cs1 O3 142.63(9) 1_445 2_665
O2 Cs1 O3 46.08(9) 3_575 2_665
O2 Cs1 O3 84.57(8) 2_765 2_665
O1 Cs1 O3 128.29(9) 1_445 2_665
O1 Cs1 O3 44.40(9) 2_765 2_665
O1 Cs1 O3 95.90(7) 3_575 2_665
O3 Cs1 O3 119.998(2) 3_565 2_665
O4 Cs1 O3 117.26(10) 4_675 .
O4 Cs1 O3 94.01(9) 6_655 .
O4 Cs1 O3 57.42(10) 5_455 .
O2 Cs1 O3 84.57(8) 1_445 .
O2 Cs1 O3 142.63(9) 3_575 .
O2 Cs1 O3 46.08(9) 2_765 .
O1 Cs1 O3 44.40(9) 1_445 .
O1 Cs1 O3 95.90(7) 2_765 .
O1 Cs1 O3 128.29(9) 3_575 .
O3 Cs1 O3 119.998(2) 3_565 .
O3 Cs1 O3 119.998(1) 2_665 .
O3 Cs2 O3 91.18(11) 5_564 6_554
O3 Cs2 O3 91.18(11) 5_564 4_664
O3 Cs2 O3 91.18(11) 6_554 4_664
O3 Cs2 O1 132.39(8) 5_564 2_765
O3 Cs2 O1 133.51(7) 6_554 2_765
O3 Cs2 O1 75.15(10) 4_664 2_765
O3 Cs2 O1 133.51(7) 5_564 1_445
O3 Cs2 O1 75.15(10) 6_554 1_445
O3 Cs2 O1 132.40(8) 4_664 1_445
O1 Cs2 O1 82.04(12) 2_765 1_445
O3 Cs2 O1 75.15(10) 5_564 3_575
O3 Cs2 O1 132.40(8) 6_554 3_575
O3 Cs2 O1 133.51(7) 4_664 3_575
O1 Cs2 O1 82.04(12) 2_765 3_575
O1 Cs2 O1 82.04(12) 1_445 3_575
O3 Cs2 O2 47.27(8) 5_564 4_674
O3 Cs2 O2 45.98(9) 6_554 4_674
O3 Cs2 O2 80.60(10) 4_664 4_674
O1 Cs2 O2 155.76(10) 2_765 4_674
O1 Cs2 O2 115.27(9) 1_445 4_674
O1 Cs2 O2 115.76(9) 3_575 4_674
O3 Cs2 O2 45.98(9) 5_564 6_654
O3 Cs2 O2 80.60(10) 6_554 6_654
O3 Cs2 O2 47.27(8) 4_664 6_654
O1 Cs2 O2 115.76(9) 2_765 6_654
O1 Cs2 O2 155.76(10) 1_445 6_654
O1 Cs2 O2 115.27(9) 3_575 6_654
O2 Cs2 O2 43.00(9) 4_674 6_654
O3 Cs2 O2 80.60(10) 5_564 5_454
O3 Cs2 O2 47.27(8) 6_554 5_454
O3 Cs2 O2 45.98(9) 4_664 5_454
O1 Cs2 O2 115.27(9) 2_765 5_454
O1 Cs2 O2 115.76(9) 1_445 5_454
O1 Cs2 O2 155.76(10) 3_575 5_454
O2 Cs2 O2 43.00(9) 4_674 5_454
O2 Cs2 O2 43.00(9) 6_654 5_454
O3 Cs2 O4 56.07(10) 5_564 3_575
O3 Cs2 O4 147.16(10) 6_554 3_575
O3 Cs2 O4 91.79(9) 4_664 3_575
O1 Cs2 O4 78.61(8) 2_765 3_575
O1 Cs2 O4 124.03(10) 1_445 3_575
O1 Cs2 O4 43.65(8) 3_575 3_575
O2 Cs2 O4 102.48(9) 4_674 3_575
O2 Cs2 O4 77.59(9) 6_654 3_575
O2 Cs2 O4 120.04(9) 5_454 3_575
O3 Cs2 O4 91.79(9) 5_564 1_445
O3 Cs2 O4 56.07(10) 6_554 1_445
O3 Cs2 O4 147.16(10) 4_664 1_445
O1 Cs2 O4 124.03(10) 2_765 1_445
O1 Cs2 O4 43.65(8) 1_445 1_445
O1 Cs2 O4 78.61(8) 3_575 1_445
O2 Cs2 O4 77.59(9) 4_674 1_445
O2 Cs2 O4 120.04(9) 6_654 1_445
O2 Cs2 O4 102.48(9) 5_454 1_445
O4 Cs2 O4 116.67(4) 3_575 1_445
O3 Cs2 O4 147.16(10) 5_564 2_765
O3 Cs2 O4 91.79(9) 6_554 2_765
O3 Cs2 O4 56.07(10) 4_664 2_765
O1 Cs2 O4 43.65(8) 2_765 2_765
O1 Cs2 O4 78.61(8) 1_445 2_765
O1 Cs2 O4 124.03(10) 3_575 2_765
O2 Cs2 O4 120.04(9) 4_674 2_765
O2 Cs2 O4 102.48(9) 6_654 2_765
O2 Cs2 O4 77.59(9) 5_454 2_765
O4 Cs2 O4 116.67(4) 3_575 2_765
O4 Cs2 O4 116.67(4) 1_445 2_765
W1 O1 W1 149.13(17) . 3_675
W1 O1 Cs1 96.13(15) . 1_665
W1 O1 Cs1 102.51(15) 3_675 1_665
W1 O1 Cs2 100.76(14) . 1_665
W1 O1 Cs2 106.58(14) 3_675 1_665
Cs1 O1 Cs2 79.76(6) 1_665 1_665
W1 O2 W1 137.8(2) . 2_775
W1 O2 Cs1 106.92(13) . 1_665
W1 O2 Cs1 114.16(13) 2_775 1_665
W1 O2 Cs2 98.11(13) . 4_675
W1 O2 Cs2 94.65(12) 2_775 4_675
Cs1 O2 Cs2 84.88(9) 1_665 4_675
Te2 O3 W1 131.30(19) . 3_565
Te2 O3 Cs2 117.38(17) . 4_665
W1 O3 Cs2 110.91(14) 3_565 4_665
Te2 O3 Cs1 96.94(12) . .
W1 O3 Cs1 93.28(11) 3_565 .
Cs2 O3 Cs1 84.66(7) 4_665 .
Te2 O3 Cs1 95.70(12) . 1_545
W1 O3 Cs1 82.99(10) 3_565 1_545
Cs2 O3 Cs1 84.01(8) 4_665 1_545
Cs1 O3 Cs1 165.91(11) . 1_545
W1 O4 Cs1 154.8(2) . 4_674
W1 O4 Cs2 94.00(14) . 1_665
Cs1 O4 Cs2 84.68(9) 4_674 1_665
W1 O4 Cs2 104.78(15) . .
Cs1 O4 Cs2 84.48(10) 4_674 .
Cs2 O4 Cs2 156.01(14) 1_665 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O4 1.747(4) .
W1 O1 1.830(3) .
W1 O2 1.847(3) .
W1 O2 2.029(3) 3_575
W1 O1 2.044(3) 2_765
W1 O3 2.110(4) 2_665
W1 Cs1 4.0388(4) 1_665
W1 Cs2 4.2372(5) 1_665
W1 Cs1 4.3392(4) .
W1 Cs2 4.3399(8) 4_675
Te2 O3 1.887(4) 3
Te2 O3 1.887(4) 2
Te2 O3 1.887(4) .
Te2 Cs2 4.3191(3) 4_665
Te2 Cs2 4.3191(3) 4
Te2 Cs2 4.3192(3) 4_565
Te2 Cs1 4.3268(3) 1_445
Te2 Cs1 4.3268(3) .
Te2 Cs1 4.3268(3) 1_545
Cs1 O4 3.028(4) 4_675
Cs1 O4 3.028(4) 6_655
Cs1 O4 3.028(4) 5_455
Cs1 O2 3.094(4) 1_445
Cs1 O2 3.094(4) 3_575
Cs1 O2 3.094(3) 2_765
Cs1 O1 3.410(4) 1_445
Cs1 O1 3.410(4) 2_765
Cs1 O1 3.410(4) 3_575
Cs1 O3 3.673(3) 3_565
Cs1 O3 3.673(3) 2_665
Cs1 O3 3.673(3) .
Cs2 O3 3.113(4) 5_564
Cs2 O3 3.113(4) 6_554
Cs2 O3 3.113(4) 4_664
Cs2 O1 3.495(4) 2_765
Cs2 O1 3.495(4) 1_445
Cs2 O1 3.495(4) 3_575
Cs2 O2 3.675(4) 4_674
Cs2 O2 3.675(4) 6_654
Cs2 O2 3.675(4) 5_454
Cs2 O4 3.740(4) 3_575
Cs2 O4 3.740(4) 1_445
Cs2 O4 3.740(4) 2_765
O1 W1 2.044(3) 3_675
O1 Cs1 3.410(4) 1_665
O1 Cs2 3.495(4) 1_665
O2 W1 2.029(3) 2_775
O2 Cs1 3.094(3) 1_665
O2 Cs2 3.675(4) 4_675
O3 W1 2.110(4) 3_565
O3 Cs2 3.113(4) 4_665
O3 Cs1 3.711(3) 1_545
O4 Cs1 3.028(4) 4_674
O4 Cs2 3.740(4) 1_665
