 
data_1 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             MgNa4O12W3  
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'MgNa4O12W3' 
_chemical_formula_weight          859.82 
 
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' 
 'Mg'  'Mg'   0.0486   0.0363 
 '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            Monoclinic 
_symmetry_space_group_name_H-M    C2/c 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y, -z+1/2' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y, z-1/2' 
 '-x+1/2, -y+1/2, -z' 
 'x+1/2, -y+1/2, z-1/2' 
 
_cell_length_a                    12.6081(19) 
_cell_length_b                    13.619(2) 
_cell_length_c                    7.1886(11) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  111.997(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      1144.5(3) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     1959 
_cell_measurement_theta_min       2.99 
_cell_measurement_theta_max       27.58 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.162 
_exptl_crystal_size_mid           0.122 
_exptl_crystal_size_min           0.07 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     4.990 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1496 
_exptl_absorpt_coefficient_mu     30.342 
_exptl_absorpt_correction_type    'numerical' 
_exptl_absorpt_correction_T_min   0.25775  
_exptl_absorpt_correction_T_max   0.42324 
_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             3484 
_diffrn_reflns_av_R_equivalents   0.0333 
_diffrn_reflns_av_sigmaI/netI     0.0377 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        16 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        16 
_diffrn_reflns_limit_l_min        -5 
_diffrn_reflns_limit_l_max        9 
_diffrn_reflns_theta_min          2.30 
_diffrn_reflns_theta_max          27.58 
_reflns_number_total              1316 
_reflns_number_gt                 1218 
_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)+(0.0163P)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        0.00278(9) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          1316 
_refine_ls_number_parameters      97 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0228 
_refine_ls_R_factor_gt            0.0199 
_refine_ls_wR_factor_ref          0.0486 
_refine_ls_wR_factor_gt           0.0475 
_refine_ls_goodness_of_fit_ref    1.051 
_refine_ls_restrained_S_all       1.051 
_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 0.5000 0.78717(2) 0.2500 0.02124(12) Uani 1 2 d S . . 
W2 W 0.77205(2) 1.110064(17) 0.37785(3) 0.02055(11) Uani 1 1 d . . . 
Na1 Na 0.5000 1.0000 0.0000 0.0451(11) Uani 1 2 d S . . 
Na2 Na 0.5000 0.7705(2) -0.2500 0.0199(7) Uani 1 2 d S . . 
Na3 Na 1.0000 1.020(3) 0.7500 0.055(5) Uani 0.45(5) 2 d SP . 1 
Na4 Na 1.0000 0.980(3) 0.7500 0.055(5) Uani 0.55(5) 2 d SP . 2 
Mg1 Mg 0.28967(16) 0.65786(15) -0.1230(3) 0.0183(4) Uani 0.50 1 d P . 2 
Na5 Na 0.28967(16) 0.65786(15) -0.1230(3) 0.0183(4) Uani 0.50 1 d P . 2 
O1 O 0.6268(4) 1.0858(3) 0.3170(7) 0.0300(10) Uani 1 1 d . . 2 
O2 O 0.4625(4) 0.7150(3) 0.0292(6) 0.0279(10) Uani 1 1 d . . 2 
O3 O 0.8310(4) 1.1706(3) 0.6103(6) 0.0313(10) Uani 1 1 d . . 2 
O4 O 0.7848(4) 1.1809(3) 0.1784(7) 0.0367(11) Uani 1 1 d . . 2 
O5 O 0.8486(4) 0.9974(3) 0.4024(7) 0.0388(12) Uani 1 1 d . . 2 
O6 O 0.3912(4) 0.8690(3) 0.2445(8) 0.0443(14) Uani 1 1 d . . 2 
 
 
_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 O6 1.756(5) 2_655 ? 
W1 O6 1.756(5) . ? 
W1 O2 1.774(4) . ? 
W1 O2 1.774(4) 2_655 ? 
W1 Na1 3.4105(5) 2_655 ? 
W1 Na1 3.4105(5) . ? 
W1 Mg1 3.464(2) . ? 
W1 Na5 3.464(2) 2_655 ? 
W1 Mg1 3.464(2) 2_655 ? 
W1 Na5 3.498(2) 8_566 ? 
W1 Na5 3.498(2) 7_565 ? 
W2 O1 1.748(4) . ? 
W2 O3 1.759(4) . ? 
W2 O4 1.785(5) . ? 
W2 O5 1.786(4) . ? 
W2 Na3 3.342(14) . ? 
W2 Na4 3.550(13) 5_776 ? 
W2 Na5 3.571(2) 3_556 ? 
W2 Na4 3.574(18) . ? 
W2 Na5 3.590(2) 5_675 ? 
W2 Na2 3.5906(15) 5_675 ? 
W2 Na5 3.656(2) 8_566 ? 
Na1 O1 2.527(4) . ? 
Na1 O1 2.527(4) 5_675 ? 
Na1 O6 2.559(5) 6_575 ? 
Na1 O6 2.559(5) 2_655 ? 
Na1 O1 2.688(5) 6_575 ? 
Na1 O1 2.688(5) 2_655 ? 
Na1 W1 3.4105(5) 5_675 ? 
Na1 Na1 3.5943(5) 2_654 ? 
Na1 Na1 3.5943(5) 2_655 ? 
Na1 Na2 3.605(3) 5_675 ? 
Na1 Na2 3.605(3) . ? 
Na2 O2 2.353(4) 2_654 ? 
Na2 O2 2.353(4) . ? 
Na2 O3 2.408(4) 3_444 ? 
Na2 O3 2.408(4) 4_645 ? 
Na2 O1 2.457(5) 6_575 ? 
Na2 O1 2.457(5) 5_675 ? 
Na2 Na3 3.41(4) 3_444 ? 
Na2 Mg1 3.469(2) . ? 
Na2 Na5 3.469(2) 2_654 ? 
Na2 Mg1 3.469(2) 2_654 ? 
Na2 W2 3.5906(15) 6_575 ? 
Na3 W2 3.342(14) 2_756 ? 
Na3 Na2 3.41(4) 3_556 ? 
Na3 Na3 3.635(11) 5_776 ? 
Na3 Na3 3.635(11) 5_777 ? 
Na4 O5 2.524(6) 2_756 ? 
Na4 O5 2.524(6) . ? 
Na4 O5 2.550(7) 5_776 ? 
Na4 O5 2.550(7) 6_576 ? 
Na4 Na5 3.53(2) 8_566 ? 
Na4 Mg1 3.53(2) 8_566 ? 
Na4 Na5 3.53(2) 7_666 ? 
Na4 Mg1 3.53(2) 7_666 ? 
Na4 W2 3.550(13) 5_776 ? 
Na4 W2 3.550(13) 6_576 ? 
Na4 W2 3.574(18) 2_756 ? 
Mg1 O6 2.146(6) 7_565 ? 
Mg1 O3 2.174(5) 3_444 ? 
Mg1 O2 2.182(5) . ? 
Mg1 O4 2.212(5) 3_445 ? 
Mg1 O5 2.226(5) 8_465 ? 
Mg1 O4 2.362(5) 5_675 ? 
Mg1 Mg1 3.428(4) 7_565 ? 
Mg1 Na5 3.428(4) 7_565 ? 
Mg1 Na4 3.53(2) 7_666 ? 
Mg1 Na4 3.94(2) 3_444 ? 
O1 Na2 2.457(5) 5_675 ? 
O1 Na1 2.688(5) 2_655 ? 
O3 Na5 2.174(5) 3_556 ? 
O3 Mg1 2.174(5) 3_556 ? 
O3 Na2 2.408(4) 3_556 ? 
O4 Na5 2.212(5) 3 ? 
O4 Mg1 2.212(5) 3 ? 
O4 Na5 2.362(5) 5_675 ? 
O4 Mg1 2.362(5) 5_675 ? 
O5 Na5 2.226(5) 8_566 ? 
O5 Mg1 2.226(5) 8_566 ? 
O5 Na4 2.550(7) 5_776 ? 
O6 Na5 2.146(6) 7_565 ? 
O6 Mg1 2.146(6) 7_565 ? 
O6 Na1 2.559(5) 2_655 ? 
 
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 
O6 W1 O6 101.2(4) 2_655 . ? 
O6 W1 O2 108.4(2) 2_655 . ? 
O6 W1 O2 112.8(2) . . ? 
O6 W1 O2 112.8(2) 2_655 2_655 ? 
O6 W1 O2 108.4(2) . 2_655 ? 
O2 W1 O2 112.7(3) . 2_655 ? 
O6 W1 Na1 66.6(2) 2_655 2_655 ? 
O6 W1 Na1 47.03(16) . 2_655 ? 
O2 W1 Na1 152.86(14) . 2_655 ? 
O2 W1 Na1 93.00(13) 2_655 2_655 ? 
O6 W1 Na1 47.03(16) 2_655 . ? 
O6 W1 Na1 66.6(2) . . ? 
O2 W1 Na1 93.00(13) . . ? 
O2 W1 Na1 152.86(14) 2_655 . ? 
Na1 W1 Na1 63.599(12) 2_655 . ? 
O6 W1 Mg1 134.83(18) 2_655 . ? 
O6 W1 Mg1 86.57(16) . . ? 
O2 W1 Mg1 32.36(15) . . ? 
O2 W1 Mg1 106.32(14) 2_655 . ? 
Na1 W1 Mg1 133.55(3) 2_655 . ? 
Na1 W1 Mg1 100.10(4) . . ? 
O6 W1 Na5 86.57(16) 2_655 2_655 ? 
O6 W1 Na5 134.83(18) . 2_655 ? 
O2 W1 Na5 106.32(14) . 2_655 ? 
O2 W1 Na5 32.36(15) 2_655 2_655 ? 
Na1 W1 Na5 100.10(4) 2_655 2_655 ? 
Na1 W1 Na5 133.55(3) . 2_655 ? 
Mg1 W1 Na5 118.87(7) . 2_655 ? 
O6 W1 Mg1 86.57(16) 2_655 2_655 ? 
O6 W1 Mg1 134.83(18) . 2_655 ? 
O2 W1 Mg1 106.32(14) . 2_655 ? 
O2 W1 Mg1 32.36(15) 2_655 2_655 ? 
Na1 W1 Mg1 100.10(4) 2_655 2_655 ? 
Na1 W1 Mg1 133.55(3) . 2_655 ? 
Mg1 W1 Mg1 118.87(7) . 2_655 ? 
Na5 W1 Mg1 0.00(8) 2_655 2_655 ? 
O6 W1 Na5 29.30(16) 2_655 8_566 ? 
O6 W1 Na5 126.90(17) . 8_566 ? 
O2 W1 Na5 104.76(15) . 8_566 ? 
O2 W1 Na5 89.00(15) 2_655 8_566 ? 
Na1 W1 Na5 83.49(3) 2_655 8_566 ? 
Na1 W1 Na5 75.50(3) . 8_566 ? 
Mg1 W1 Na5 137.12(6) . 8_566 ? 
Na5 W1 Na5 59.00(6) 2_655 8_566 ? 
Mg1 W1 Na5 59.00(6) 2_655 8_566 ? 
O6 W1 Na5 126.90(17) 2_655 7_565 ? 
O6 W1 Na5 29.30(16) . 7_565 ? 
O2 W1 Na5 89.00(15) . 7_565 ? 
O2 W1 Na5 104.76(15) 2_655 7_565 ? 
Na1 W1 Na5 75.50(3) 2_655 7_565 ? 
Na1 W1 Na5 83.49(3) . 7_565 ? 
Mg1 W1 Na5 59.00(6) . 7_565 ? 
Na5 W1 Na5 137.12(6) 2_655 7_565 ? 
Mg1 W1 Na5 137.12(6) 2_655 7_565 ? 
Na5 W1 Na5 155.28(7) 8_566 7_565 ? 
O1 W2 O3 110.9(2) . . ? 
O1 W2 O4 107.6(2) . . ? 
O3 W2 O4 112.1(2) . . ? 
O1 W2 O5 109.8(2) . . ? 
O3 W2 O5 106.8(2) . . ? 
O4 W2 O5 109.6(2) . . ? 
O1 W2 Na3 129.6(4) . . ? 
O3 W2 Na3 58.8(5) . . ? 
O4 W2 Na3 122.2(3) . . ? 
O5 W2 Na3 48.3(6) . . ? 
O1 W2 Na4 138.0(4) . 5_776 ? 
O3 W2 Na4 108.3(3) . 5_776 ? 
O4 W2 Na4 69.8(5) . 5_776 ? 
O5 W2 Na4 42.9(6) . 5_776 ? 
Na3 W2 Na4 62.79(14) . 5_776 ? 
O1 W2 Na5 87.18(16) . 3_556 ? 
O3 W2 Na5 27.73(15) . 3_556 ? 
O4 W2 Na5 135.91(15) . 3_556 ? 
O5 W2 Na5 103.27(16) . 3_556 ? 
Na3 W2 Na5 63.3(3) . 3_556 ? 
Na4 W2 Na5 124.87(3) 5_776 3_556 ? 
O1 W2 Na4 124.6(4) . . ? 
O3 W2 Na4 65.5(5) . . ? 
O4 W2 Na4 125.4(2) . . ? 
O5 W2 Na4 41.3(5) . . ? 
Na3 W2 Na4 8.0(6) . . ? 
Na4 W2 Na4 61.33(15) 5_776 . ? 
Na5 W2 Na4 66.9(2) 3_556 . ? 
O1 W2 Na5 91.85(15) . 5_675 ? 
O3 W2 Na5 90.33(15) . 5_675 ? 
O4 W2 Na5 35.06(16) . 5_675 ? 
O5 W2 Na5 144.38(17) . 5_675 ? 
Na3 W2 Na5 133.6(6) . 5_675 ? 
Na4 W2 Na5 102.4(5) 5_776 5_675 ? 
Na5 W2 Na5 105.81(4) 3_556 5_675 ? 
Na4 W2 Na5 141.0(5) . 5_675 ? 
O1 W2 Na2 37.87(15) . 5_675 ? 
O3 W2 Na2 93.10(15) . 5_675 ? 
O4 W2 Na2 85.10(16) . 5_675 ? 
O5 W2 Na2 147.49(17) . 5_675 ? 
Na3 W2 Na2 145.50(17) . 5_675 ? 
Na4 W2 Na2 151.57(18) 5_776 5_675 ? 
Na5 W2 Na2 82.45(3) 3_556 5_675 ? 
Na4 W2 Na2 146.99(5) . 5_675 ? 
Na5 W2 Na2 57.78(5) 5_675 5_675 ? 
O1 W2 Na5 82.50(14) . 8_566 ? 
O3 W2 Na5 117.72(15) . 8_566 ? 
O4 W2 Na5 120.97(16) . 8_566 ? 
O5 W2 Na5 27.32(17) . 8_566 ? 
Na3 W2 Na5 66.4(6) . 8_566 ? 
Na4 W2 Na5 66.3(6) 5_776 8_566 ? 
Na5 W2 Na5 101.69(5) 3_556 8_566 ? 
Na4 W2 Na5 58.4(5) . 8_566 ? 
Na5 W2 Na5 151.612(18) 5_675 8_566 ? 
Na2 W2 Na5 120.29(5) 5_675 8_566 ? 
O1 Na1 O1 180.000(1) . 5_675 ? 
O1 Na1 O6 108.22(15) . 6_575 ? 
O1 Na1 O6 71.78(15) 5_675 6_575 ? 
O1 Na1 O6 71.78(15) . 2_655 ? 
O1 Na1 O6 108.22(15) 5_675 2_655 ? 
O6 Na1 O6 180.00(15) 6_575 2_655 ? 
O1 Na1 O1 110.55(17) . 6_575 ? 
O1 Na1 O1 69.45(17) 5_675 6_575 ? 
O6 Na1 O1 102.06(17) 6_575 6_575 ? 
O6 Na1 O1 77.94(17) 2_655 6_575 ? 
O1 Na1 O1 69.45(17) . 2_655 ? 
O1 Na1 O1 110.55(17) 5_675 2_655 ? 
O6 Na1 O1 77.94(17) 6_575 2_655 ? 
O6 Na1 O1 102.06(17) 2_655 2_655 ? 
O1 Na1 O1 180.000(1) 6_575 2_655 ? 
O1 Na1 W1 87.56(11) . 5_675 ? 
O1 Na1 W1 92.44(11) 5_675 5_675 ? 
O6 Na1 W1 30.13(11) 6_575 5_675 ? 
O6 Na1 W1 149.87(11) 2_655 5_675 ? 
O1 Na1 W1 89.67(9) 6_575 5_675 ? 
O1 Na1 W1 90.33(9) 2_655 5_675 ? 
O1 Na1 W1 92.44(11) . . ? 
O1 Na1 W1 87.56(11) 5_675 . ? 
O6 Na1 W1 149.87(11) 6_575 . ? 
O6 Na1 W1 30.13(11) 2_655 . ? 
O1 Na1 W1 90.33(9) 6_575 . ? 
O1 Na1 W1 89.67(9) 2_655 . ? 
W1 Na1 W1 180.0 5_675 . ? 
O1 Na1 Na1 131.68(11) . 2_654 ? 
O1 Na1 Na1 48.32(11) 5_675 2_654 ? 
O6 Na1 Na1 58.88(14) 6_575 2_654 ? 
O6 Na1 Na1 121.12(14) 2_655 2_654 ? 
O1 Na1 Na1 44.60(9) 6_575 2_654 ? 
O1 Na1 Na1 135.40(9) 2_655 2_654 ? 
W1 Na1 Na1 58.200(6) 5_675 2_654 ? 
W1 Na1 Na1 121.800(6) . 2_654 ? 
O1 Na1 Na1 48.32(11) . 2_655 ? 
O1 Na1 Na1 131.68(11) 5_675 2_655 ? 
O6 Na1 Na1 121.12(14) 6_575 2_655 ? 
O6 Na1 Na1 58.88(14) 2_655 2_655 ? 
O1 Na1 Na1 135.40(9) 6_575 2_655 ? 
O1 Na1 Na1 44.60(9) 2_655 2_655 ? 
W1 Na1 Na1 121.800(6) 5_675 2_655 ? 
W1 Na1 Na1 58.200(6) . 2_655 ? 
Na1 Na1 Na1 180.0 2_654 2_655 ? 
O1 Na1 Na2 42.92(10) . 5_675 ? 
O1 Na1 Na2 137.08(10) 5_675 5_675 ? 
O6 Na1 Na2 69.71(12) 6_575 5_675 ? 
O6 Na1 Na2 110.29(12) 2_655 5_675 ? 
O1 Na1 Na2 137.04(9) 6_575 5_675 ? 
O1 Na1 Na2 42.96(9) 2_655 5_675 ? 
W1 Na1 Na2 61.70(3) 5_675 5_675 ? 
W1 Na1 Na2 118.30(3) . 5_675 ? 
Na1 Na1 Na2 119.90(2) 2_654 5_675 ? 
Na1 Na1 Na2 60.10(2) 2_655 5_675 ? 
O1 Na1 Na2 137.08(10) . . ? 
O1 Na1 Na2 42.92(10) 5_675 . ? 
O6 Na1 Na2 110.29(12) 6_575 . ? 
O6 Na1 Na2 69.71(12) 2_655 . ? 
O1 Na1 Na2 42.96(9) 6_575 . ? 
O1 Na1 Na2 137.04(9) 2_655 . ? 
W1 Na1 Na2 118.30(3) 5_675 . ? 
W1 Na1 Na2 61.70(3) . . ? 
Na1 Na1 Na2 60.10(2) 2_654 . ? 
Na1 Na1 Na2 119.90(2) 2_655 . ? 
Na2 Na1 Na2 180.0 5_675 . ? 
O2 Na2 O2 142.5(3) 2_654 . ? 
O2 Na2 O3 83.78(16) 2_654 3_444 ? 
O2 Na2 O3 75.21(16) . 3_444 ? 
O2 Na2 O3 75.21(16) 2_654 4_645 ? 
O2 Na2 O3 83.78(16) . 4_645 ? 
O3 Na2 O3 111.2(2) 3_444 4_645 ? 
O2 Na2 O1 95.71(16) 2_654 6_575 ? 
O2 Na2 O1 114.37(16) . 6_575 ? 
O3 Na2 O1 160.19(17) 3_444 6_575 ? 
O3 Na2 O1 87.66(15) 4_645 6_575 ? 
O2 Na2 O1 114.37(16) 2_654 5_675 ? 
O2 Na2 O1 95.71(16) . 5_675 ? 
O3 Na2 O1 87.66(15) 3_444 5_675 ? 
O3 Na2 O1 160.19(17) 4_645 5_675 ? 
O1 Na2 O1 74.5(2) 6_575 5_675 ? 
O2 Na2 Na3 71.24(13) 2_654 3_444 ? 
O2 Na2 Na3 71.24(13) . 3_444 ? 
O3 Na2 Na3 55.58(12) 3_444 3_444 ? 
O3 Na2 Na3 55.58(12) 4_645 3_444 ? 
O1 Na2 Na3 142.77(11) 6_575 3_444 ? 
O1 Na2 Na3 142.77(11) 5_675 3_444 ? 
O2 Na2 Mg1 120.00(14) 2_654 . ? 
O2 Na2 Mg1 38.32(11) . . ? 
O3 Na2 Mg1 38.32(11) 3_444 . ? 
O3 Na2 Mg1 106.53(14) 4_645 . ? 
O1 Na2 Mg1 143.69(14) 6_575 . ? 
O1 Na2 Mg1 84.18(12) 5_675 . ? 
Na3 Na2 Mg1 63.74(6) 3_444 . ? 
O2 Na2 Na5 38.32(11) 2_654 2_654 ? 
O2 Na2 Na5 120.00(14) . 2_654 ? 
O3 Na2 Na5 106.53(14) 3_444 2_654 ? 
O3 Na2 Na5 38.32(11) 4_645 2_654 ? 
O1 Na2 Na5 84.18(12) 6_575 2_654 ? 
O1 Na2 Na5 143.69(14) 5_675 2_654 ? 
Na3 Na2 Na5 63.74(6) 3_444 2_654 ? 
Mg1 Na2 Na5 127.49(12) . 2_654 ? 
O2 Na2 Mg1 38.32(11) 2_654 2_654 ? 
O2 Na2 Mg1 120.00(14) . 2_654 ? 
O3 Na2 Mg1 106.53(14) 3_444 2_654 ? 
O3 Na2 Mg1 38.32(11) 4_645 2_654 ? 
O1 Na2 Mg1 84.18(12) 6_575 2_654 ? 
O1 Na2 Mg1 143.69(14) 5_675 2_654 ? 
Na3 Na2 Mg1 63.74(6) 3_444 2_654 ? 
Mg1 Na2 Mg1 127.49(12) . 2_654 ? 
Na5 Na2 Mg1 0.00(8) 2_654 2_654 ? 
O2 Na2 W2 83.45(11) 2_654 6_575 ? 
O2 Na2 W2 113.91(11) . 6_575 ? 
O3 Na2 W2 166.90(12) 3_444 6_575 ? 
O3 Na2 W2 62.48(11) 4_645 6_575 ? 
O1 Na2 W2 25.89(10) 6_575 6_575 ? 
O1 Na2 W2 100.28(13) 5_675 6_575 ? 
Na3 Na2 W2 116.93(4) 3_444 6_575 ? 
Mg1 Na2 W2 152.14(3) . 6_575 ? 
Na5 Na2 W2 61.09(3) 2_654 6_575 ? 
Mg1 Na2 W2 61.09(3) 2_654 6_575 ? 
W2 Na3 W2 136.8(12) 2_756 . ? 
W2 Na3 Na2 68.4(6) 2_756 3_556 ? 
W2 Na3 Na2 68.4(6) . 3_556 ? 
W2 Na3 Na3 121.9(4) 2_756 5_776 ? 
W2 Na3 Na3 65.3(3) . 5_776 ? 
Na2 Na3 Na3 98.5(12) 3_556 5_776 ? 
W2 Na3 Na3 65.3(3) 2_756 5_777 ? 
W2 Na3 Na3 121.9(4) . 5_777 ? 
Na2 Na3 Na3 98.5(12) 3_556 5_777 ? 
Na3 Na3 Na3 163(2) 5_776 5_777 ? 
O5 Na4 O5 169.5(17) 2_756 . ? 
O5 Na4 O5 90.2(2) 2_756 5_776 ? 
O5 Na4 O5 88.5(2) . 5_776 ? 
O5 Na4 O5 88.5(2) 2_756 6_576 ? 
O5 Na4 O5 90.2(2) . 6_576 ? 
O5 Na4 O5 166.4(17) 5_776 6_576 ? 
O5 Na4 Na5 151.2(13) 2_756 8_566 ? 
O5 Na4 Na5 38.9(3) . 8_566 ? 
O5 Na4 Na5 102.0(4) 5_776 8_566 ? 
O5 Na4 Na5 85.4(4) 6_576 8_566 ? 
O5 Na4 Mg1 151.2(13) 2_756 8_566 ? 
O5 Na4 Mg1 38.9(3) . 8_566 ? 
O5 Na4 Mg1 102.0(4) 5_776 8_566 ? 
O5 Na4 Mg1 85.4(4) 6_576 8_566 ? 
Na5 Na4 Mg1 0.00(8) 8_566 8_566 ? 
O5 Na4 Na5 38.9(3) 2_756 7_666 ? 
O5 Na4 Na5 151.2(13) . 7_666 ? 
O5 Na4 Na5 85.4(4) 5_776 7_666 ? 
O5 Na4 Na5 102.0(4) 6_576 7_666 ? 
Na5 Na4 Na5 115.5(10) 8_566 7_666 ? 
Mg1 Na4 Na5 115.5(10) 8_566 7_666 ? 
O5 Na4 Mg1 38.9(3) 2_756 7_666 ? 
O5 Na4 Mg1 151.2(13) . 7_666 ? 
O5 Na4 Mg1 85.4(4) 5_776 7_666 ? 
O5 Na4 Mg1 102.0(4) 6_576 7_666 ? 
Na5 Na4 Mg1 115.5(10) 8_566 7_666 ? 
Mg1 Na4 Mg1 115.5(10) 8_566 7_666 ? 
Na5 Na4 Mg1 0.00(8) 7_666 7_666 ? 
O5 Na4 W2 84.4(3) 2_756 5_776 ? 
O5 Na4 W2 99.3(3) . 5_776 ? 
O5 Na4 W2 28.5(3) 5_776 5_776 ? 
O5 Na4 W2 164.0(12) 6_576 5_776 ? 
Na5 Na4 W2 94.0(6) 8_566 5_776 ? 
Mg1 Na4 W2 94.0(6) 8_566 5_776 ? 
Na5 Na4 W2 63.9(3) 7_666 5_776 ? 
Mg1 Na4 W2 63.9(3) 7_666 5_776 ? 
O5 Na4 W2 99.3(3) 2_756 6_576 ? 
O5 Na4 W2 84.4(3) . 6_576 ? 
O5 Na4 W2 164.0(12) 5_776 6_576 ? 
O5 Na4 W2 28.5(3) 6_576 6_576 ? 
Na5 Na4 W2 63.9(3) 8_566 6_576 ? 
Mg1 Na4 W2 63.9(3) 8_566 6_576 ? 
Na5 Na4 W2 94.0(6) 7_666 6_576 ? 
Mg1 Na4 W2 94.0(6) 7_666 6_576 ? 
W2 Na4 W2 139.4(11) 5_776 6_576 ? 
O5 Na4 W2 27.8(3) 2_756 2_756 ? 
O5 Na4 W2 142.5(13) . 2_756 ? 
O5 Na4 W2 75.0(4) 5_776 2_756 ? 
O5 Na4 W2 98.1(6) 6_576 2_756 ? 
Na5 Na4 W2 176.0(7) 8_566 2_756 ? 
Mg1 Na4 W2 176.0(7) 8_566 2_756 ? 
Na5 Na4 W2 61.96(4) 7_666 2_756 ? 
Mg1 Na4 W2 61.96(4) 7_666 2_756 ? 
W2 Na4 W2 82.14(8) 5_776 2_756 ? 
W2 Na4 W2 118.67(15) 6_576 2_756 ? 
O5 Na4 W2 142.5(13) 2_756 . ? 
O5 Na4 W2 27.8(3) . . ? 
O5 Na4 W2 98.1(6) 5_776 . ? 
O5 Na4 W2 75.0(4) 6_576 . ? 
Na5 Na4 W2 61.96(4) 8_566 . ? 
Mg1 Na4 W2 61.96(4) 8_566 . ? 
Na5 Na4 W2 176.0(7) 7_666 . ? 
Mg1 Na4 W2 176.0(7) 7_666 . ? 
W2 Na4 W2 118.67(15) 5_776 . ? 
W2 Na4 W2 82.14(8) 6_576 . ? 
W2 Na4 W2 120.8(10) 2_756 . ? 
O6 Mg1 O3 102.9(2) 7_565 3_444 ? 
O6 Mg1 O2 166.88(19) 7_565 . ? 
O3 Mg1 O2 83.67(17) 3_444 . ? 
O6 Mg1 O4 90.5(2) 7_565 3_445 ? 
O3 Mg1 O4 162.9(2) 3_444 3_445 ? 
O2 Mg1 O4 81.19(18) . 3_445 ? 
O6 Mg1 O5 98.19(19) 7_565 8_465 ? 
O3 Mg1 O5 88.01(19) 3_444 8_465 ? 
O2 Mg1 O5 93.32(18) . 8_465 ? 
O4 Mg1 O5 100.69(19) 3_445 8_465 ? 
O6 Mg1 O4 78.16(18) 7_565 5_675 ? 
O3 Mg1 O4 89.35(18) 3_444 5_675 ? 
O2 Mg1 O4 90.72(17) . 5_675 ? 
O4 Mg1 O4 82.99(18) 3_445 5_675 ? 
O5 Mg1 O4 174.91(19) 8_465 5_675 ? 
O6 Mg1 Mg1 82.17(15) 7_565 7_565 ? 
O3 Mg1 Mg1 127.52(16) 3_444 7_565 ? 
O2 Mg1 Mg1 84.83(14) . 7_565 ? 
O4 Mg1 Mg1 43.16(13) 3_445 7_565 ? 
O5 Mg1 Mg1 143.72(17) 8_465 7_565 ? 
O4 Mg1 Mg1 39.83(12) 5_675 7_565 ? 
O6 Mg1 Na5 82.17(15) 7_565 7_565 ? 
O3 Mg1 Na5 127.52(16) 3_444 7_565 ? 
O2 Mg1 Na5 84.83(14) . 7_565 ? 
O4 Mg1 Na5 43.16(13) 3_445 7_565 ? 
O5 Mg1 Na5 143.72(17) 8_465 7_565 ? 
O4 Mg1 Na5 39.83(12) 5_675 7_565 ? 
Mg1 Mg1 Na5 0.00(7) 7_565 7_565 ? 
O6 Mg1 W1 142.24(16) 7_565 . ? 
O3 Mg1 W1 105.97(13) 3_444 . ? 
O2 Mg1 W1 25.79(11) . . ? 
O4 Mg1 W1 57.56(13) 3_445 . ? 
O5 Mg1 W1 106.53(13) 8_465 . ? 
O4 Mg1 W1 78.39(12) 5_675 . ? 
Mg1 Mg1 W1 61.00(6) 7_565 . ? 
Na5 Mg1 W1 61.00(6) 7_565 . ? 
O6 Mg1 Na2 140.24(18) 7_565 . ? 
O3 Mg1 Na2 43.38(12) 3_444 . ? 
O2 Mg1 Na2 41.96(12) . . ? 
O4 Mg1 Na2 119.93(15) 3_445 . ? 
O5 Mg1 Na2 100.22(15) 8_465 . ? 
O4 Mg1 Na2 80.76(14) 5_675 . ? 
Mg1 Mg1 Na2 102.20(10) 7_565 . ? 
Na5 Mg1 Na2 102.20(10) 7_565 . ? 
W1 Mg1 Na2 62.59(4) . . ? 
O6 Mg1 Na4 126.9(4) 7_565 7_666 ? 
O3 Mg1 Na4 110.66(16) 3_444 7_666 ? 
O2 Mg1 Na4 58.9(5) . 7_666 ? 
O4 Mg1 Na4 67.7(3) 3_445 7_666 ? 
O5 Mg1 Na4 45.4(5) 8_465 7_666 ? 
O4 Mg1 Na4 139.7(5) 5_675 7_666 ? 
Mg1 Mg1 Na4 106.3(4) 7_565 7_666 ? 
Na5 Mg1 Na4 106.3(4) 7_565 7_666 ? 
W1 Mg1 Na4 62.8(5) . 7_666 ? 
Na2 Mg1 Na4 90.3(3) . 7_666 ? 
O6 Mg1 Na4 120.4(3) 7_565 3_444 ? 
O3 Mg1 Na4 56.0(3) 3_444 3_444 ? 
O2 Mg1 Na4 72.7(3) . 3_444 ? 
O4 Mg1 Na4 125.6(2) 3_445 3_444 ? 
O5 Mg1 Na4 37.2(4) 8_465 3_444 ? 
O4 Mg1 Na4 142.3(4) 5_675 3_444 ? 
Mg1 Mg1 Na4 157.0(2) 7_565 3_444 ? 
Na5 Mg1 Na4 157.0(2) 7_565 3_444 ? 
W1 Mg1 Na4 96.0(2) . 3_444 ? 
Na2 Mg1 Na4 64.1(4) . 3_444 ? 
Na4 Mg1 Na4 57.93(11) 7_666 3_444 ? 
W2 O1 Na2 116.2(2) . 5_675 ? 
W2 O1 Na1 124.2(2) . . ? 
Na2 O1 Na1 92.64(14) 5_675 . ? 
W2 O1 Na1 136.0(2) . 2_655 ? 
Na2 O1 Na1 88.84(15) 5_675 2_655 ? 
Na1 O1 Na1 87.08(13) . 2_655 ? 
W1 O2 Mg1 121.9(2) . . ? 
W1 O2 Na2 120.9(2) . . ? 
Mg1 O2 Na2 99.72(18) . . ? 
W2 O3 Na5 130.1(2) . 3_556 ? 
W2 O3 Mg1 130.1(2) . 3_556 ? 
Na5 O3 Mg1 0.00(14) 3_556 3_556 ? 
W2 O3 Na2 130.9(2) . 3_556 ? 
Na5 O3 Na2 98.30(16) 3_556 3_556 ? 
Mg1 O3 Na2 98.30(16) 3_556 3_556 ? 
W2 O4 Na5 138.9(3) . 3 ? 
W2 O4 Mg1 138.9(3) . 3 ? 
Na5 O4 Mg1 0.00(11) 3 3 ? 
W2 O4 Na5 119.2(2) . 5_675 ? 
Na5 O4 Na5 97.01(18) 3 5_675 ? 
Mg1 O4 Na5 97.01(18) 3 5_675 ? 
W2 O4 Mg1 119.2(2) . 5_675 ? 
Na5 O4 Mg1 97.01(18) 3 5_675 ? 
Mg1 O4 Mg1 97.01(18) 3 5_675 ? 
Na5 O4 Mg1 0.00(11) 5_675 5_675 ? 
W2 O5 Na5 131.1(3) . 8_566 ? 
W2 O5 Mg1 131.1(3) . 8_566 ? 
Na5 O5 Mg1 0.00(12) 8_566 8_566 ? 
W2 O5 Na4 110.9(8) . . ? 
Na5 O5 Na4 95.7(8) 8_566 . ? 
Mg1 O5 Na4 95.7(8) 8_566 . ? 
W2 O5 Na4 108.6(8) . 5_776 ? 
Na5 O5 Na4 111.0(8) 8_566 5_776 ? 
Mg1 O5 Na4 111.0(8) 8_566 5_776 ? 
Na4 O5 Na4 91.5(2) . 5_776 ? 
W1 O6 Na5 127.1(3) . 7_565 ? 
W1 O6 Mg1 127.1(3) . 7_565 ? 
Na5 O6 Mg1 0.00(5) 7_565 7_565 ? 
W1 O6 Na1 102.8(2) . 2_655 ? 
Na5 O6 Na1 127.8(2) 7_565 2_655 ? 
Mg1 O6 Na1 127.8(2) 7_565 2_655 ? 
 
_diffrn_measured_fraction_theta_max    0.988 
_diffrn_reflns_theta_full              27.58 
_diffrn_measured_fraction_theta_full   0.988 
_refine_diff_density_max    1.038 
_refine_diff_density_min   -0.782 
_refine_diff_density_rms    0.239 
