 
data_1 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             Cs2Mg2O12W3 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Cs2Mg2O12W3' 
_chemical_formula_weight          1057.99 
 
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' 
 'Mg'  'Mg'   0.0486   0.0363 
 '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' 
 
_symmetry_cell_setting            Cubic 
_symmetry_space_group_name_H-M    P2(1)3 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, -y, z+1/2' 
 '-x, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z' 
 'z, x, y' 
 'z+1/2, -x+1/2, -y' 
 '-z+1/2, -x, y+1/2' 
 '-z, x+1/2, -y+1/2' 
 'y, z, x' 
 '-y, z+1/2, -x+1/2' 
 'y+1/2, -z+1/2, -x' 
 '-y+1/2, -z, x+1/2' 
 
_cell_length_a                    10.8783(6) 
_cell_length_b                    10.8783(6) 
_cell_length_c                    10.8783(6) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      1287.31(12) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     3688
_cell_measurement_theta_min       3.24 
_cell_measurement_theta_max       27.37 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             colorless
_exptl_crystal_size_max           0.173 
_exptl_crystal_size_mid           0.102
_exptl_crystal_size_min           0.06 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     5.459 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1808 
_exptl_absorpt_coefficient_mu     32.465 
_exptl_absorpt_correction_type    'numerical' 
_exptl_absorpt_correction_T_min   0.06227  
_exptl_absorpt_correction_T_max   0.27574  
_exptl_absorpt_process_details    ? 
 
_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   'CCD area detector'  
_diffrn_measurement_method        'phi and omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             7810 
_diffrn_reflns_av_R_equivalents   0.0549 
_diffrn_reflns_av_sigmaI/netI     0.0323 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -14 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -14 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          2.65 
_diffrn_reflns_theta_max          27.37 
_reflns_number_total              987 
_reflns_number_gt                 970 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Bruker SMART' 
_computing_cell_refinement        'Bruker SMART' 
_computing_data_reduction         'Bruker SAINT' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
 
_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)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    ? 
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00227(8) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -0.022(10) 
_refine_ls_number_reflns          987 
_refine_ls_number_parameters      59 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0147 
_refine_ls_R_factor_gt            0.0141 
_refine_ls_wR_factor_ref          0.0302 
_refine_ls_wR_factor_gt           0.0299 
_refine_ls_goodness_of_fit_ref    0.907 
_refine_ls_restrained_S_all       0.907 
_refine_ls_shift/su_max           0.001 
_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 
W1 W 0.19843(2) 0.87596(2) 0.97433(2) 0.00807(8) Uani 1 1 d . . . 
Cs1 Cs 0.04170(4) 0.54170(4) 0.95830(4) 0.02555(17) Uani 1 3 d S . . 
Cs2 Cs 0.32200(3) 1.17800(3) 0.82200(3) 0.01672(15) Uani 1 3 d S . . 
Mg1 Mg -0.11375(16) 0.88625(16) 0.88625(16) 0.0088(6) Uani 1 3 d S . . 
Mg2 Mg 0.33703(17) 0.83703(17) 0.66297(17) 0.0089(7) Uani 1 3 d S . . 
O1 O 0.2510(4) 0.8966(4) 0.8220(4) 0.0185(9) Uani 1 1 d . . . 
O2 O 0.2217(4) 1.0150(4) 1.0533(4) 0.0205(10) Uani 1 1 d . . . 
O3 O 0.0431(4) 0.8286(4) 0.9804(4) 0.0195(9) Uani 1 1 d . . . 
O4 O 0.2859(4) 0.7628(4) 1.0509(4) 0.0202(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 
W1 O2 1.758(4) . ? 
W1 O4 1.765(4) . ? 
W1 O3 1.767(4) . ? 
W1 O1 1.768(4) . ? 
W1 Cs2 3.8337(5) 2_575 ? 
W1 Cs1 3.9094(5) 4_567 ? 
Cs1 O3 3.131(4) 8_656 ? 
Cs1 O3 3.131(4) . ? 
Cs1 O3 3.131(4) 11_466 ? 
Cs1 O4 3.503(4) 4_467 ? 
Cs1 O4 3.503(4) 10_646 ? 
Cs1 O4 3.503(4) 5_455 ? 
Cs1 O2 3.538(4) 5_455 ? 
Cs1 O2 3.538(4) 4_467 ? 
Cs1 O2 3.538(4) 10_646 ? 
Cs1 O4 3.723(4) 8_656 ? 
Cs1 O4 3.723(4) 11_466 ? 
Cs1 O4 3.723(4) . ? 
Cs2 O1 3.157(5) . ? 
Cs2 O1 3.157(5) 6_467 ? 
Cs2 O1 3.157(5) 12_675 ? 
Cs2 O4 3.239(4) 2_574 ? 
Cs2 O4 3.239(4) 11_476 ? 
Cs2 O4 3.239(4) 5_465 ? 
Cs2 O2 3.266(4) 6_467 ? 
Cs2 O2 3.266(4) . ? 
Cs2 O2 3.266(4) 12_675 ? 
Cs2 O2 3.630(4) 11_476 ? 
Cs2 O2 3.630(4) 5_465 ? 
Cs2 O2 3.630(4) 2_574 ? 
Mg1 O4 2.071(5) 8_656 ? 
Mg1 O4 2.071(5) 4_467 ? 
Mg1 O4 2.071(5) 12_575 ? 
Mg1 O3 2.087(5) 9_456 ? 
Mg1 O3 2.087(5) . ? 
Mg1 O3 2.087(5) 5_465 ? 
Mg1 Cs2 3.924(3) 3_546 ? 
Mg1 Cs1 4.1860(6) 4_467 ? 
Mg1 Cs1 4.1860(6) 3_556 ? 
Mg2 O1 2.070(4) . ? 
Mg2 O1 2.070(4) 8_656 ? 
Mg2 O1 2.070(4) 11_466 ? 
Mg2 O2 2.103(5) 12_675 ? 
Mg2 O2 2.103(5) 2_574 ? 
Mg2 O2 2.103(5) 7_664 ? 
Mg2 Cs2 4.0960(9) 3_646 ? 
Mg2 Cs2 4.0961(9) 2_574 ? 
O2 Mg2 2.103(5) 2_575 ? 
O2 Cs1 3.538(4) 4_567 ? 
O2 Cs2 3.630(4) 2_575 ? 
O4 Mg1 2.071(5) 4_567 ? 
O4 Cs2 3.239(4) 2_575 ? 
O4 Cs1 3.503(4) 4_567 ? 
 
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 
O2 W1 O4 107.0(2) . . ? 
O2 W1 O3 111.7(2) . . ? 
O4 W1 O3 107.15(19) . . ? 
O2 W1 O1 107.6(2) . . ? 
O4 W1 O1 110.9(2) . . ? 
O3 W1 O1 112.42(19) . . ? 
O2 W1 Cs2 69.99(14) . 2_575 ? 
O4 W1 Cs2 57.24(14) . 2_575 ? 
O3 W1 Cs2 82.13(14) . 2_575 ? 
O1 W1 Cs2 164.41(14) . 2_575 ? 
O2 W1 Cs1 64.78(14) . 4_567 ? 
O4 W1 Cs1 63.65(14) . 4_567 ? 
O3 W1 Cs1 166.60(14) . 4_567 ? 
O1 W1 Cs1 80.65(14) . 4_567 ? 
Cs2 W1 Cs1 84.581(9) 2_575 4_567 ? 
O3 Cs1 O3 94.13(11) 8_656 . ? 
O3 Cs1 O3 94.13(11) 8_656 11_466 ? 
O3 Cs1 O3 94.13(11) . 11_466 ? 
O3 Cs1 O4 84.69(11) 8_656 4_467 ? 
O3 Cs1 O4 53.20(10) . 4_467 ? 
O3 Cs1 O4 146.96(11) 11_466 4_467 ? 
O3 Cs1 O4 146.96(11) 8_656 10_646 ? 
O3 Cs1 O4 84.69(11) . 10_646 ? 
O3 Cs1 O4 53.20(10) 11_466 10_646 ? 
O4 Cs1 O4 119.17(2) 4_467 10_646 ? 
O3 Cs1 O4 53.20(10) 8_656 5_455 ? 
O3 Cs1 O4 146.96(11) . 5_455 ? 
O3 Cs1 O4 84.69(11) 11_466 5_455 ? 
O4 Cs1 O4 119.17(2) 4_467 5_455 ? 
O4 Cs1 O4 119.17(2) 10_646 5_455 ? 
O3 Cs1 O2 100.46(10) 8_656 5_455 ? 
O3 Cs1 O2 165.36(10) . 5_455 ? 
O3 Cs1 O2 83.66(10) 11_466 5_455 ? 
O4 Cs1 O2 129.10(10) 4_467 5_455 ? 
O4 Cs1 O2 82.41(10) 10_646 5_455 ? 
O4 Cs1 O2 47.42(10) 5_455 5_455 ? 
O3 Cs1 O2 83.66(10) 8_656 4_467 ? 
O3 Cs1 O2 100.46(10) . 4_467 ? 
O3 Cs1 O2 165.36(10) 11_466 4_467 ? 
O4 Cs1 O2 47.42(10) 4_467 4_467 ? 
O4 Cs1 O2 129.11(10) 10_646 4_467 ? 
O4 Cs1 O2 82.41(10) 5_455 4_467 ? 
O2 Cs1 O2 82.52(10) 5_455 4_467 ? 
O3 Cs1 O2 165.36(10) 8_656 10_646 ? 
O3 Cs1 O2 83.66(10) . 10_646 ? 
O3 Cs1 O2 100.46(10) 11_466 10_646 ? 
O4 Cs1 O2 82.41(10) 4_467 10_646 ? 
O4 Cs1 O2 47.42(10) 10_646 10_646 ? 
O4 Cs1 O2 129.10(10) 5_455 10_646 ? 
O2 Cs1 O2 82.52(10) 5_455 10_646 ? 
O2 Cs1 O2 82.52(10) 4_467 10_646 ? 
O3 Cs1 O4 48.05(10) 8_656 8_656 ? 
O3 Cs1 O4 48.66(10) . 8_656 ? 
O3 Cs1 O4 108.75(11) 11_466 8_656 ? 
O4 Cs1 O4 48.20(13) 4_467 8_656 ? 
O4 Cs1 O4 131.07(8) 10_646 8_656 ? 
O4 Cs1 O4 100.50(2) 5_455 8_656 ? 
O2 Cs1 O4 145.55(10) 5_455 8_656 ? 
O2 Cs1 O4 80.51(9) 4_467 8_656 ? 
O2 Cs1 O4 124.27(9) 10_646 8_656 ? 
O3 Cs1 O4 48.66(10) 8_656 11_466 ? 
O3 Cs1 O4 108.75(11) . 11_466 ? 
O3 Cs1 O4 48.05(10) 11_466 11_466 ? 
O4 Cs1 O4 131.07(8) 4_467 11_466 ? 
O4 Cs1 O4 100.50(2) 10_646 11_466 ? 
O4 Cs1 O4 48.20(14) 5_455 11_466 ? 
O2 Cs1 O4 80.51(9) 5_455 11_466 ? 
O2 Cs1 O4 124.27(10) 4_467 11_466 ? 
O2 Cs1 O4 145.55(10) 10_646 11_466 ? 
O4 Cs1 O4 84.65(10) 8_656 11_466 ? 
O3 Cs1 O4 108.75(11) 8_656 . ? 
O3 Cs1 O4 48.04(10) . . ? 
O3 Cs1 O4 48.66(10) 11_466 . ? 
O4 Cs1 O4 100.50(2) 4_467 . ? 
O4 Cs1 O4 48.20(14) 10_646 . ? 
O4 Cs1 O4 131.07(8) 5_455 . ? 
O2 Cs1 O4 124.27(10) 5_455 . ? 
O2 Cs1 O4 145.55(10) 4_467 . ? 
O2 Cs1 O4 80.51(9) 10_646 . ? 
O4 Cs1 O4 84.65(10) 8_656 . ? 
O4 Cs1 O4 84.65(10) 11_466 . ? 
O1 Cs2 O1 103.72(9) . 6_467 ? 
O1 Cs2 O1 103.72(9) . 12_675 ? 
O1 Cs2 O1 103.72(9) 6_467 12_675 ? 
O1 Cs2 O4 95.97(10) . 2_574 ? 
O1 Cs2 O4 146.53(11) 6_467 2_574 ? 
O1 Cs2 O4 97.40(11) 12_675 2_574 ? 
O1 Cs2 O4 146.53(11) . 11_476 ? 
O1 Cs2 O4 97.40(11) 6_467 11_476 ? 
O1 Cs2 O4 95.97(10) 12_675 11_476 ? 
O4 Cs2 O4 54.33(13) 2_574 11_476 ? 
O1 Cs2 O4 97.40(11) . 5_465 ? 
O1 Cs2 O4 95.97(10) 6_467 5_465 ? 
O1 Cs2 O4 146.53(11) 12_675 5_465 ? 
O4 Cs2 O4 54.32(13) 2_574 5_465 ? 
O4 Cs2 O4 54.33(13) 11_476 5_465 ? 
O1 Cs2 O2 120.83(11) . 6_467 ? 
O1 Cs2 O2 52.55(11) 6_467 6_467 ? 
O1 Cs2 O2 52.10(11) 12_675 6_467 ? 
O4 Cs2 O2 135.01(12) 2_574 6_467 ? 
O4 Cs2 O2 92.62(11) 11_476 6_467 ? 
O4 Cs2 O2 133.50(11) 5_465 6_467 ? 
O1 Cs2 O2 52.55(11) . . ? 
O1 Cs2 O2 52.10(11) 6_467 . ? 
O1 Cs2 O2 120.83(11) 12_675 . ? 
O4 Cs2 O2 133.49(11) 2_574 . ? 
O4 Cs2 O2 135.01(12) 11_476 . ? 
O4 Cs2 O2 92.62(11) 5_465 . ? 
O2 Cs2 O2 91.18(11) 6_467 . ? 
O1 Cs2 O2 52.10(11) . 12_675 ? 
O1 Cs2 O2 120.83(11) 6_467 12_675 ? 
O1 Cs2 O2 52.55(11) 12_675 12_675 ? 
O4 Cs2 O2 92.62(11) 2_574 12_675 ? 
O4 Cs2 O2 133.50(11) 11_476 12_675 ? 
O4 Cs2 O2 135.00(12) 5_465 12_675 ? 
O2 Cs2 O2 91.18(11) 6_467 12_675 ? 
O2 Cs2 O2 91.18(11) . 12_675 ? 
O1 Cs2 O2 157.25(11) . 11_476 ? 
O1 Cs2 O2 85.99(10) 6_467 11_476 ? 
O1 Cs2 O2 53.63(10) 12_675 11_476 ? 
O4 Cs2 O2 86.02(10) 2_574 11_476 ? 
O4 Cs2 O2 48.27(11) 11_476 11_476 ? 
O4 Cs2 O2 102.05(11) 5_465 11_476 ? 
O2 Cs2 O2 49.93(14) 6_467 11_476 ? 
O2 Cs2 O2 136.99(8) . 11_476 ? 
O2 Cs2 O2 105.227(15) 12_675 11_476 ? 
O1 Cs2 O2 85.99(10) . 5_465 ? 
O1 Cs2 O2 53.63(10) 6_467 5_465 ? 
O1 Cs2 O2 157.25(10) 12_675 5_465 ? 
O4 Cs2 O2 102.05(11) 2_574 5_465 ? 
O4 Cs2 O2 86.01(10) 11_476 5_465 ? 
O4 Cs2 O2 48.27(11) 5_465 5_465 ? 
O2 Cs2 O2 105.227(15) 6_467 5_465 ? 
O2 Cs2 O2 49.93(14) . 5_465 ? 
O2 Cs2 O2 136.99(8) 12_675 5_465 ? 
O2 Cs2 O2 115.85(5) 11_476 5_465 ? 
O1 Cs2 O2 53.63(10) . 2_574 ? 
O1 Cs2 O2 157.25(10) 6_467 2_574 ? 
O1 Cs2 O2 85.99(10) 12_675 2_574 ? 
O4 Cs2 O2 48.27(11) 2_574 2_574 ? 
O4 Cs2 O2 102.05(11) 11_476 2_574 ? 
O4 Cs2 O2 86.01(10) 5_465 2_574 ? 
O2 Cs2 O2 136.99(8) 6_467 2_574 ? 
O2 Cs2 O2 105.227(15) . 2_574 ? 
O2 Cs2 O2 49.93(14) 12_675 2_574 ? 
O2 Cs2 O2 115.85(5) 11_476 2_574 ? 
O2 Cs2 O2 115.85(5) 5_465 2_574 ? 
O4 Mg1 O4 91.1(2) 8_656 4_467 ? 
O4 Mg1 O4 91.1(2) 8_656 12_575 ? 
O4 Mg1 O4 91.1(2) 4_467 12_575 ? 
O4 Mg1 O3 176.66(18) 8_656 9_456 ? 
O4 Mg1 O3 87.49(18) 4_467 9_456 ? 
O4 Mg1 O3 91.93(16) 12_575 9_456 ? 
O4 Mg1 O3 87.48(18) 8_656 . ? 
O4 Mg1 O3 91.93(16) 4_467 . ? 
O4 Mg1 O3 176.66(18) 12_575 . ? 
O3 Mg1 O3 89.52(19) 9_456 . ? 
O4 Mg1 O3 91.93(16) 8_656 5_465 ? 
O4 Mg1 O3 176.66(18) 4_467 5_465 ? 
O4 Mg1 O3 87.49(18) 12_575 5_465 ? 
O3 Mg1 O3 89.52(19) 9_456 5_465 ? 
O3 Mg1 O3 89.52(19) . 5_465 ? 
O4 Mg1 Cs2 55.55(14) 8_656 3_546 ? 
O4 Mg1 Cs2 55.55(14) 4_467 3_546 ? 
O4 Mg1 Cs2 55.55(14) 12_575 3_546 ? 
O3 Mg1 Cs2 125.60(14) 9_456 3_546 ? 
O3 Mg1 Cs2 125.61(14) . 3_546 ? 
O3 Mg1 Cs2 125.61(14) 5_465 3_546 ? 
O4 Mg1 Cs1 135.29(17) 8_656 4_467 ? 
O4 Mg1 Cs1 62.71(12) 4_467 4_467 ? 
O4 Mg1 Cs1 56.62(12) 12_575 4_467 ? 
O3 Mg1 Cs1 46.28(12) 9_456 4_467 ? 
O3 Mg1 Cs1 126.17(13) . 4_467 ? 
O3 Mg1 Cs1 114.06(12) 5_465 4_467 ? 
Cs2 Mg1 Cs1 79.88(4) 3_546 4_467 ? 
O4 Mg1 Cs1 56.62(12) 8_656 3_556 ? 
O4 Mg1 Cs1 135.29(17) 4_467 3_556 ? 
O4 Mg1 Cs1 62.70(12) 12_575 3_556 ? 
O3 Mg1 Cs1 126.17(13) 9_456 3_556 ? 
O3 Mg1 Cs1 114.06(12) . 3_556 ? 
O3 Mg1 Cs1 46.28(12) 5_465 3_556 ? 
Cs2 Mg1 Cs1 79.89(4) 3_546 3_556 ? 
Cs1 Mg1 Cs1 116.98(2) 4_467 3_556 ? 
O1 Mg2 O1 91.4(2) . 8_656 ? 
O1 Mg2 O1 91.4(2) . 11_466 ? 
O1 Mg2 O1 91.4(2) 8_656 11_466 ? 
O1 Mg2 O2 85.11(17) . 12_675 ? 
O1 Mg2 O2 172.25(17) 8_656 12_675 ? 
O1 Mg2 O2 95.57(17) 11_466 12_675 ? 
O1 Mg2 O2 95.58(17) . 2_574 ? 
O1 Mg2 O2 85.11(17) 8_656 2_574 ? 
O1 Mg2 O2 172.25(17) 11_466 2_574 ? 
O2 Mg2 O2 88.3(2) 12_675 2_574 ? 
O1 Mg2 O2 172.25(17) . 7_664 ? 
O1 Mg2 O2 95.57(17) 8_656 7_664 ? 
O1 Mg2 O2 85.11(17) 11_466 7_664 ? 
O2 Mg2 O2 88.3(2) 12_675 7_664 ? 
O2 Mg2 O2 88.3(2) 2_574 7_664 ? 
O1 Mg2 Cs2 120.53(12) . 3_646 ? 
O1 Mg2 Cs2 125.32(12) 8_656 3_646 ? 
O1 Mg2 Cs2 49.14(13) 11_466 3_646 ? 
O2 Mg2 Cs2 62.24(12) 12_675 3_646 ? 
O2 Mg2 Cs2 128.38(16) 2_574 3_646 ? 
O2 Mg2 Cs2 52.31(12) 7_664 3_646 ? 
O1 Mg2 Cs2 125.32(12) . 2_574 ? 
O1 Mg2 Cs2 49.14(13) 8_656 2_574 ? 
O1 Mg2 Cs2 120.53(12) 11_466 2_574 ? 
O2 Mg2 Cs2 128.39(16) 12_675 2_574 ? 
O2 Mg2 Cs2 52.31(12) 2_574 2_574 ? 
O2 Mg2 Cs2 62.24(12) 7_664 2_574 ? 
Cs2 Mg2 Cs2 113.69(4) 3_646 2_574 ? 
W1 O1 Mg2 152.9(3) . . ? 
W1 O1 Cs2 101.66(17) . . ? 
Mg2 O1 Cs2 101.12(17) . . ? 
W1 O2 Mg2 153.2(3) . 2_575 ? 
W1 O2 Cs2 97.96(16) . . ? 
Mg2 O2 Cs2 97.06(15) 2_575 . ? 
W1 O2 Cs1 88.51(16) . 4_567 ? 
Mg2 O2 Cs1 116.91(18) 2_575 4_567 ? 
Cs2 O2 Cs1 74.82(9) . 4_567 ? 
W1 O2 Cs2 82.94(15) . 2_575 ? 
Mg2 O2 Cs2 86.92(13) 2_575 2_575 ? 
Cs2 O2 Cs2 167.99(14) . 2_575 ? 
Cs1 O2 Cs2 93.25(10) 4_567 2_575 ? 
W1 O3 Mg1 132.5(2) . . ? 
W1 O3 Cs1 107.00(17) . . ? 
Mg1 O3 Cs1 104.93(17) . . ? 
W1 O4 Mg1 170.5(3) . 4_567 ? 
W1 O4 Cs2 95.48(17) . 2_575 ? 
Mg1 O4 Cs2 92.64(16) 4_567 2_575 ? 
W1 O4 Cs1 89.51(15) . 4_567 ? 
Mg1 O4 Cs1 93.80(14) 4_567 4_567 ? 
Cs2 O4 Cs1 101.14(12) 2_575 4_567 ? 
W1 O4 Cs1 86.44(15) . . ? 
Mg1 O4 Cs1 87.68(14) 4_567 . ? 
Cs2 O4 Cs1 96.66(10) 2_575 . ? 
Cs1 O4 Cs1 162.04(14) 4_567 . ? 
 
_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              27.37 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    0.738 
_refine_diff_density_min   -0.475 
_refine_diff_density_rms    0.133 
