 
data_1 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             Mg2O12Rb2W3
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Mg2O12Rb2W3' 
_chemical_formula_weight          963.11 
 
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' 
 'Rb'  'Rb'  -0.9393   2.9676 
 '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                    10.7656(6) 
_cell_length_b                    10.7656(6) 
_cell_length_c                    10.7656(6) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      1247.71(12) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     4217 
_cell_measurement_theta_min       3.28 
_cell_measurement_theta_max       27.60
 
_exptl_crystal_description        block 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.228  
_exptl_crystal_size_mid           0.149 
_exptl_crystal_size_min           0.123 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     5.127 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1664 
_exptl_absorpt_coefficient_mu     35.495 
_exptl_absorpt_correction_type    'numerical' 
_exptl_absorpt_correction_T_min   0.3848 
_exptl_absorpt_correction_T_max   0.7456
_exptl_absorpt_process_details    "Face-indexed" 
 
_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             7753 
_diffrn_reflns_av_R_equivalents   0.0433 
_diffrn_reflns_av_sigmaI/netI     0.0252 
_diffrn_reflns_limit_h_min        -13 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -14 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -13 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          2.68 
_diffrn_reflns_theta_max          27.60 
_reflns_number_total              979 
_reflns_number_gt                 963 
_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)+(0.0148P)²+4.6263P] 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        0.00160(10) 
_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    -0.02(3) 
_refine_ls_number_reflns          979 
_refine_ls_number_parameters      59 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0180 
_refine_ls_R_factor_gt            0.0172 
_refine_ls_wR_factor_ref          0.0389 
_refine_ls_wR_factor_gt           0.0386 
_refine_ls_goodness_of_fit_ref    1.073 
_refine_ls_restrained_S_all       1.073 
_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 0.77568(2) 0.62689(3) 0.05067(2) 0.00996(9) Uani 1 1 d . . . 
Rb1 Rb 0.79496(9) 0.29496(9) 0.20504(9) 0.0407(4) Uani 1 3 d S . . 
Rb2 Rb 0.42940(7) 0.57060(7) 0.07060(7) 0.0241(3) Uani 1 3 d S . . 
Mg1 Mg 1.1360(2) 0.1360(2) 0.1360(2) 0.0123(7) Uani 1 3 d S . . 
Mg2 Mg 0.5875(2) 0.9125(2) 0.0875(2) 0.0110(8) Uani 1 3 d S . . 
O1 O 0.9285(5) 0.6478(7) -0.0015(6) 0.0390(16) Uani 1 1 d . . . 
O4 O 0.7683(8) 0.5784(7) 0.2065(5) 0.049(2) Uani 1 1 d . . . 
O2 O 0.6962(6) 0.5162(7) -0.0387(6) 0.0427(18) Uani 1 1 d . . . 
O3 O 0.6992(7) 0.7676(7) 0.0291(8) 0.054(2) 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 O3 1.739(7) . ? 
W1 O1 1.753(6) . ? 
W1 O2 1.755(6) . ? 
W1 O4 1.759(5) . ? 
W1 Rb2 3.7830(7) . ? 
W1 Rb2 3.8794(8) 4_565 ? 
W1 Rb1 3.8899(9) 2_664 ? 
W1 Rb1 3.9464(12) . ? 
Rb1 O4 3.065(8) 11_556 ? 
Rb1 O4 3.065(8) 8_645 ? 
Rb1 O4 3.065(8) . ? 
Rb1 O2 3.428(7) 2_665 ? 
Rb1 O2 3.428(7) 7_564 ? 
Rb1 O2 3.428(7) 12_654 ? 
Rb1 O3 3.554(8) 12_654 ? 
Rb1 O3 3.554(8) 2_665 ? 
Rb1 O3 3.554(8) 7_564 ? 
Rb1 W1 3.8899(9) 7_564 ? 
Rb1 W1 3.8899(9) 2_665 ? 
Rb1 W1 3.8899(9) 12_654 ? 
Rb2 O1 3.121(8) 6_566 ? 
Rb2 O1 3.121(8) 4_465 ? 
Rb2 O1 3.121(8) 11_456 ? 
Rb2 O2 3.159(7) 10_655 ? 
Rb2 O2 3.159(7) 7_564 ? 
Rb2 O2 3.159(7) . ? 
Rb2 O3 3.213(8) 6_566 ? 
Rb2 O3 3.213(8) 4_465 ? 
Rb2 O3 3.213(8) 11_456 ? 
Rb2 O3 3.624(8) 10_655 ? 
Rb2 O3 3.624(8) . ? 
Rb2 O3 3.624(8) 7_564 ? 
Mg1 O2 2.050(7) 4 ? 
Mg1 O2 2.050(7) 8_645 ? 
Mg1 O2 2.050(7) 12_654 ? 
Mg1 O4 2.078(7) 7_664 ? 
Mg1 O4 2.078(7) 11_556 ? 
Mg1 O4 2.078(7) 3_745 ? 
Mg1 Rb2 3.853(4) 4 ? 
Mg1 Rb1 4.1185(9) 4 ? 
Mg1 Rb1 4.1185(9) 3_745 ? 
Mg2 O1 2.052(6) 9_564 ? 
Mg2 O1 2.052(6) 7_574 ? 
Mg2 O1 2.052(6) 4_465 ? 
Mg2 O3 2.068(7) 12_664 ? 
Mg2 O3 2.068(7) . ? 
Mg2 O3 2.068(7) 6_566 ? 
Mg2 Rb2 4.0594(11) 3_655 ? 
Mg2 Rb2 4.0594(11) 4_565 ? 
O1 Mg2 2.052(6) 4_565 ? 
O1 Rb2 3.121(8) 4_565 ? 
O4 Mg1 2.078(7) 3_755 ? 
O2 Mg1 2.050(7) 4_455 ? 
O2 Rb1 3.428(7) 2_664 ? 
O3 Rb2 3.213(8) 4_565 ? 
O3 Rb1 3.554(8) 2_664 ? 
 
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 
O3 W1 O1 106.8(4) . . ? 
O3 W1 O2 106.7(4) . . ? 
O1 W1 O2 111.7(3) . . ? 
O3 W1 O4 111.4(4) . . ? 
O1 W1 O4 112.7(3) . . ? 
O2 W1 O4 107.4(3) . . ? 
O3 W1 Rb2 71.4(3) . . ? 
O1 W1 Rb2 164.5(2) . . ? 
O2 W1 Rb2 56.1(2) . . ? 
O4 W1 Rb2 81.6(3) . . ? 
O3 W1 Rb2 55.0(3) . 4_565 ? 
O1 W1 Rb2 52.0(2) . 4_565 ? 
O2 W1 Rb2 126.4(2) . 4_565 ? 
O4 W1 Rb2 126.1(2) . 4_565 ? 
Rb2 W1 Rb2 125.025(17) . 4_565 ? 
O3 W1 Rb1 65.9(3) . 2_664 ? 
O1 W1 Rb1 81.3(2) . 2_664 ? 
O2 W1 Rb1 61.8(2) . 2_664 ? 
O4 W1 Rb1 165.4(2) . 2_664 ? 
Rb2 W1 Rb1 84.044(17) . 2_664 ? 
Rb2 W1 Rb1 65.16(3) 4_565 2_664 ? 
O3 W1 Rb1 150.4(3) . . ? 
O1 W1 Rb1 101.7(2) . . ? 
O2 W1 Rb1 69.0(2) . . ? 
O4 W1 Rb1 48.1(3) . . ? 
Rb2 W1 Rb1 83.275(17) . . ? 
Rb2 W1 Rb1 151.576(18) 4_565 . ? 
Rb1 W1 Rb1 127.51(2) 2_664 . ? 
O4 Rb1 O4 95.62(19) 11_556 8_645 ? 
O4 Rb1 O4 95.62(19) 11_556 . ? 
O4 Rb1 O4 95.62(19) 8_645 . ? 
O4 Rb1 O2 84.27(18) 11_556 2_665 ? 
O4 Rb1 O2 148.96(19) 8_645 2_665 ? 
O4 Rb1 O2 53.70(15) . 2_665 ? 
O4 Rb1 O2 148.96(19) 11_556 7_564 ? 
O4 Rb1 O2 53.70(15) 8_645 7_564 ? 
O4 Rb1 O2 84.27(18) . 7_564 ? 
O2 Rb1 O2 118.89(4) 2_665 7_564 ? 
O4 Rb1 O2 53.70(15) 11_556 12_654 ? 
O4 Rb1 O2 84.27(18) 8_645 12_654 ? 
O4 Rb1 O2 148.96(19) . 12_654 ? 
O2 Rb1 O2 118.89(4) 2_665 12_654 ? 
O2 Rb1 O2 118.89(4) 7_564 12_654 ? 
O4 Rb1 O3 100.67(16) 11_556 12_654 ? 
O4 Rb1 O3 83.66(19) 8_645 12_654 ? 
O4 Rb1 O3 163.68(19) . 12_654 ? 
O2 Rb1 O3 126.99(17) 2_665 12_654 ? 
O2 Rb1 O3 82.20(16) 7_564 12_654 ? 
O2 Rb1 O3 47.31(16) 12_654 12_654 ? 
O4 Rb1 O3 83.66(19) 11_556 2_665 ? 
O4 Rb1 O3 163.68(19) 8_645 2_665 ? 
O4 Rb1 O3 100.67(16) . 2_665 ? 
O2 Rb1 O3 47.31(16) 2_665 2_665 ? 
O2 Rb1 O3 126.99(17) 7_564 2_665 ? 
O2 Rb1 O3 82.20(16) 12_654 2_665 ? 
O3 Rb1 O3 80.5(2) 12_654 2_665 ? 
O4 Rb1 O3 163.68(19) 11_556 7_564 ? 
O4 Rb1 O3 100.67(16) 8_645 7_564 ? 
O4 Rb1 O3 83.66(19) . 7_564 ? 
O2 Rb1 O3 82.20(16) 2_665 7_564 ? 
O2 Rb1 O3 47.31(16) 7_564 7_564 ? 
O2 Rb1 O3 126.99(17) 12_654 7_564 ? 
O3 Rb1 O3 80.5(2) 12_654 7_564 ? 
O3 Rb1 O3 80.5(2) 2_665 7_564 ? 
O4 Rb1 W1 166.31(11) 11_556 7_564 ? 
O4 Rb1 W1 76.19(11) 8_645 7_564 ? 
O4 Rb1 W1 96.09(15) . 7_564 ? 
O2 Rb1 W1 108.45(11) 2_665 7_564 ? 
O2 Rb1 W1 26.80(10) 7_564 7_564 ? 
O2 Rb1 W1 113.83(12) 12_654 7_564 ? 
O3 Rb1 W1 67.85(12) 12_654 7_564 ? 
O3 Rb1 W1 101.08(13) 2_665 7_564 ? 
O3 Rb1 W1 26.54(11) 7_564 7_564 ? 
O4 Rb1 W1 96.09(15) 11_556 2_665 ? 
O4 Rb1 W1 166.31(11) 8_645 2_665 ? 
O4 Rb1 W1 76.19(11) . 2_665 ? 
O2 Rb1 W1 26.80(10) 2_665 2_665 ? 
O2 Rb1 W1 113.83(12) 7_564 2_665 ? 
O2 Rb1 W1 108.45(11) 12_654 2_665 ? 
O3 Rb1 W1 101.08(13) 12_654 2_665 ? 
O3 Rb1 W1 26.54(11) 2_665 2_665 ? 
O3 Rb1 W1 67.85(12) 7_564 2_665 ? 
W1 Rb1 W1 93.56(3) 7_564 2_665 ? 
O4 Rb1 W1 76.19(11) 11_556 12_654 ? 
O4 Rb1 W1 96.09(15) 8_645 12_654 ? 
O4 Rb1 W1 166.31(11) . 12_654 ? 
O2 Rb1 W1 113.83(12) 2_665 12_654 ? 
O2 Rb1 W1 108.45(11) 7_564 12_654 ? 
O2 Rb1 W1 26.80(10) 12_654 12_654 ? 
O3 Rb1 W1 26.54(11) 12_654 12_654 ? 
O3 Rb1 W1 67.85(12) 2_665 12_654 ? 
O3 Rb1 W1 101.08(13) 7_564 12_654 ? 
W1 Rb1 W1 93.56(3) 7_564 12_654 ? 
W1 Rb1 W1 93.56(3) 2_665 12_654 ? 
O1 Rb2 O1 103.25(14) 6_566 4_465 ? 
O1 Rb2 O1 103.25(14) 6_566 11_456 ? 
O1 Rb2 O1 103.25(14) 4_465 11_456 ? 
O1 Rb2 O2 147.14(16) 6_566 10_655 ? 
O1 Rb2 O2 98.37(18) 4_465 10_655 ? 
O1 Rb2 O2 95.41(17) 11_456 10_655 ? 
O1 Rb2 O2 95.41(17) 6_566 7_564 ? 
O1 Rb2 O2 147.14(16) 4_465 7_564 ? 
O1 Rb2 O2 98.37(18) 11_456 7_564 ? 
O2 Rb2 O2 54.79(19) 10_655 7_564 ? 
O1 Rb2 O2 98.37(18) 6_566 . ? 
O1 Rb2 O2 95.41(17) 4_465 . ? 
O1 Rb2 O2 147.14(16) 11_456 . ? 
O2 Rb2 O2 54.79(19) 10_655 . ? 
O2 Rb2 O2 54.79(19) 7_564 . ? 
O1 Rb2 O3 52.51(16) 6_566 6_566 ? 
O1 Rb2 O3 51.80(17) 4_465 6_566 ? 
O1 Rb2 O3 120.43(19) 11_456 6_566 ? 
O2 Rb2 O3 135.91(19) 10_655 6_566 ? 
O2 Rb2 O3 132.63(19) 7_564 6_566 ? 
O2 Rb2 O3 92.37(18) . 6_566 ? 
O1 Rb2 O3 120.43(19) 6_566 4_465 ? 
O1 Rb2 O3 52.51(16) 4_465 4_465 ? 
O1 Rb2 O3 51.80(17) 11_456 4_465 ? 
O2 Rb2 O3 92.37(18) 10_655 4_465 ? 
O2 Rb2 O3 135.91(19) 7_564 4_465 ? 
O2 Rb2 O3 132.63(19) . 4_465 ? 
O3 Rb2 O3 91.2(2) 6_566 4_465 ? 
O1 Rb2 O3 51.80(17) 6_566 11_456 ? 
O1 Rb2 O3 120.43(19) 4_465 11_456 ? 
O1 Rb2 O3 52.51(16) 11_456 11_456 ? 
O2 Rb2 O3 132.63(19) 10_655 11_456 ? 
O2 Rb2 O3 92.37(18) 7_564 11_456 ? 
O2 Rb2 O3 135.91(19) . 11_456 ? 
O3 Rb2 O3 91.2(2) 6_566 11_456 ? 
O3 Rb2 O3 91.2(2) 4_465 11_456 ? 
O1 Rb2 O3 156.68(16) 6_566 10_655 ? 
O1 Rb2 O3 85.79(17) 4_465 10_655 ? 
O1 Rb2 O3 53.48(15) 11_456 10_655 ? 
O2 Rb2 O3 48.23(16) 10_655 10_655 ? 
O2 Rb2 O3 87.55(17) 7_564 10_655 ? 
O2 Rb2 O3 102.16(16) . 10_655 ? 
O3 Rb2 O3 136.47(12) 6_566 10_655 ? 
O3 Rb2 O3 49.3(2) 4_465 10_655 ? 
O3 Rb2 O3 105.05(3) 11_456 10_655 ? 
O1 Rb2 O3 85.79(17) 6_566 . ? 
O1 Rb2 O3 53.48(15) 4_465 . ? 
O1 Rb2 O3 156.68(16) 11_456 . ? 
O2 Rb2 O3 87.55(17) 10_655 . ? 
O2 Rb2 O3 102.16(16) 7_564 . ? 
O2 Rb2 O3 48.23(16) . . ? 
O3 Rb2 O3 49.3(2) 6_566 . ? 
O3 Rb2 O3 105.05(3) 4_465 . ? 
O3 Rb2 O3 136.47(12) 11_456 . ? 
O3 Rb2 O3 116.25(7) 10_655 . ? 
O1 Rb2 O3 53.48(15) 6_566 7_564 ? 
O1 Rb2 O3 156.68(16) 4_465 7_564 ? 
O1 Rb2 O3 85.79(17) 11_456 7_564 ? 
O2 Rb2 O3 102.16(16) 10_655 7_564 ? 
O2 Rb2 O3 48.23(16) 7_564 7_564 ? 
O2 Rb2 O3 87.55(17) . 7_564 ? 
O3 Rb2 O3 105.05(3) 6_566 7_564 ? 
O3 Rb2 O3 136.47(12) 4_465 7_564 ? 
O3 Rb2 O3 49.3(2) 11_456 7_564 ? 
O3 Rb2 O3 116.25(7) 10_655 7_564 ? 
O3 Rb2 O3 116.25(7) . 7_564 ? 
O2 Mg1 O2 90.3(3) 4 8_645 ? 
O2 Mg1 O2 90.3(3) 4 12_654 ? 
O2 Mg1 O2 90.3(3) 8_645 12_654 ? 
O2 Mg1 O4 89.2(3) 4 7_664 ? 
O2 Mg1 O4 91.2(2) 8_645 7_664 ? 
O2 Mg1 O4 178.4(3) 12_654 7_664 ? 
O2 Mg1 O4 178.4(3) 4 11_556 ? 
O2 Mg1 O4 89.2(3) 8_645 11_556 ? 
O2 Mg1 O4 91.2(2) 12_654 11_556 ? 
O4 Mg1 O4 89.3(3) 7_664 11_556 ? 
O2 Mg1 O4 91.2(2) 4 3_745 ? 
O2 Mg1 O4 178.4(3) 8_645 3_745 ? 
O2 Mg1 O4 89.2(3) 12_654 3_745 ? 
O4 Mg1 O4 89.3(3) 7_664 3_745 ? 
O4 Mg1 O4 89.3(3) 11_556 3_745 ? 
O2 Mg1 Rb2 55.0(2) 4 4 ? 
O2 Mg1 Rb2 55.0(2) 8_645 4 ? 
O2 Mg1 Rb2 55.0(2) 12_654 4 ? 
O4 Mg1 Rb2 125.8(2) 7_664 4 ? 
O4 Mg1 Rb2 125.8(2) 11_556 4 ? 
O4 Mg1 Rb2 125.8(2) 3_745 4 ? 
O2 Mg1 Rb1 63.7(2) 4 4 ? 
O2 Mg1 Rb1 56.1(2) 8_645 4 ? 
O2 Mg1 Rb1 134.9(2) 12_654 4 ? 
O4 Mg1 Rb1 46.0(2) 7_664 4 ? 
O4 Mg1 Rb1 114.8(2) 11_556 4 ? 
O4 Mg1 Rb1 125.1(2) 3_745 4 ? 
Rb2 Mg1 Rb1 80.17(5) 4 4 ? 
O2 Mg1 Rb1 134.9(2) 4 . ? 
O2 Mg1 Rb1 63.7(2) 8_645 . ? 
O2 Mg1 Rb1 56.1(2) 12_654 . ? 
O4 Mg1 Rb1 125.1(2) 7_664 . ? 
O4 Mg1 Rb1 46.0(2) 11_556 . ? 
O4 Mg1 Rb1 114.8(2) 3_745 . ? 
Rb2 Mg1 Rb1 80.17(5) 4 . ? 
Rb1 Mg1 Rb1 117.15(3) 4 . ? 
O2 Mg1 Rb1 56.1(2) 4 3_745 ? 
O2 Mg1 Rb1 134.9(2) 8_645 3_745 ? 
O2 Mg1 Rb1 63.7(2) 12_654 3_745 ? 
O4 Mg1 Rb1 114.8(2) 7_664 3_745 ? 
O4 Mg1 Rb1 125.1(2) 11_556 3_745 ? 
O4 Mg1 Rb1 46.0(2) 3_745 3_745 ? 
Rb2 Mg1 Rb1 80.17(5) 4 3_745 ? 
Rb1 Mg1 Rb1 117.15(3) 4 3_745 ? 
Rb1 Mg1 Rb1 117.15(3) . 3_745 ? 
O1 Mg2 O1 91.8(3) 9_564 7_574 ? 
O1 Mg2 O1 91.8(3) 9_564 4_465 ? 
O1 Mg2 O1 91.8(3) 7_574 4_465 ? 
O1 Mg2 O3 96.3(3) 9_564 12_664 ? 
O1 Mg2 O3 84.4(3) 7_574 12_664 ? 
O1 Mg2 O3 171.2(3) 4_465 12_664 ? 
O1 Mg2 O3 84.4(3) 9_564 . ? 
O1 Mg2 O3 171.2(3) 7_574 . ? 
O1 Mg2 O3 96.3(3) 4_465 . ? 
O3 Mg2 O3 88.1(3) 12_664 . ? 
O1 Mg2 O3 171.2(3) 9_564 6_566 ? 
O1 Mg2 O3 96.3(3) 7_574 6_566 ? 
O1 Mg2 O3 84.4(3) 4_465 6_566 ? 
O3 Mg2 O3 88.1(3) 12_664 6_566 ? 
O3 Mg2 O3 88.1(3) . 6_566 ? 
O1 Mg2 Rb2 120.31(19) 9_564 . ? 
O1 Mg2 Rb2 125.55(19) 7_574 . ? 
O1 Mg2 Rb2 48.9(2) 4_465 . ? 
O3 Mg2 Rb2 128.2(3) 12_664 . ? 
O3 Mg2 Rb2 63.0(2) . . ? 
O3 Mg2 Rb2 51.6(2) 6_566 . ? 
O1 Mg2 Rb2 125.55(19) 9_564 3_655 ? 
O1 Mg2 Rb2 48.9(2) 7_574 3_655 ? 
O1 Mg2 Rb2 120.31(19) 4_465 3_655 ? 
O3 Mg2 Rb2 51.6(2) 12_664 3_655 ? 
O3 Mg2 Rb2 128.2(3) . 3_655 ? 
O3 Mg2 Rb2 63.0(2) 6_566 3_655 ? 
Rb2 Mg2 Rb2 113.70(4) . 3_655 ? 
O1 Mg2 Rb2 48.9(2) 9_564 4_565 ? 
O1 Mg2 Rb2 120.31(19) 7_574 4_565 ? 
O1 Mg2 Rb2 125.55(19) 4_465 4_565 ? 
O3 Mg2 Rb2 63.0(2) 12_664 4_565 ? 
O3 Mg2 Rb2 51.6(2) . 4_565 ? 
O3 Mg2 Rb2 128.2(3) 6_566 4_565 ? 
Rb2 Mg2 Rb2 113.70(4) . 4_565 ? 
Rb2 Mg2 Rb2 113.70(4) 3_655 4_565 ? 
W1 O1 Mg2 152.5(4) . 4_565 ? 
W1 O1 Rb2 101.8(3) . 4_565 ? 
Mg2 O1 Rb2 101.4(3) 4_565 4_565 ? 
W1 O4 Mg1 131.8(4) . 3_755 ? 
W1 O4 Rb1 106.6(3) . . ? 
Mg1 O4 Rb1 104.8(3) 3_755 . ? 
W1 O2 Mg1 167.8(5) . 4_455 ? 
W1 O2 Rb2 96.5(3) . . ? 
Mg1 O2 Rb2 92.9(2) 4_455 . ? 
W1 O2 Rb1 91.4(3) . 2_664 ? 
Mg1 O2 Rb1 94.1(2) 4_455 2_664 ? 
Rb2 O2 Rb1 102.4(2) . 2_664 ? 
W1 O3 Mg2 153.1(5) . . ? 
W1 O3 Rb2 98.7(3) . 4_565 ? 
Mg2 O3 Rb2 98.1(3) . 4_565 ? 
W1 O3 Rb1 87.6(3) . 2_664 ? 
Mg2 O3 Rb1 116.8(3) . 2_664 ? 
Rb2 O3 Rb1 76.19(18) 4_565 2_664 ? 
W1 O3 Rb2 81.6(3) . . ? 
Mg2 O3 Rb2 86.4(2) . . ? 
Rb2 O3 Rb2 167.5(3) 4_565 . ? 
Rb1 O3 Rb2 91.39(18) 2_664 . ? 
 
_diffrn_measured_fraction_theta_max    0.998 
_diffrn_reflns_theta_full              27.60 
_diffrn_measured_fraction_theta_full   0.998 
_refine_diff_density_max    1.009 
_refine_diff_density_min   -0.643 
_refine_diff_density_rms    0.167 
