# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1038838'
_audit_update_record             
;
2014-12-11 deposited with the CCDC.
2015-02-25 downloaded from the CCDC.
;

_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
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1038839'
_audit_update_record             
;
2014-12-11 deposited with the CCDC.
2015-02-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            K4MgW3O12
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'K4 Mg O12 W3'
_chemical_formula_weight         924.26

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 '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'
O O 0.0106 0.0060 '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           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.7255(14)
_cell_length_b                   9.9119(19)
_cell_length_c                   10.0401(18)
_cell_angle_alpha                93.249(10)
_cell_angle_beta                 106.624(10)
_cell_angle_gamma                105.781(11)
_cell_volume                     701.3(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4673
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      27.55

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.195
_exptl_crystal_size_mid          0.071
_exptl_crystal_size_min          0.063
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.377
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             812
_exptl_absorpt_coefficient_mu    25.824
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.16343
_exptl_absorpt_correction_T_max  0.36439
_exptl_absorpt_process_details   Face-indexed

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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            13490
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.14
_diffrn_reflns_theta_max         27.59
_reflns_number_total             3192
_reflns_number_gt                2662
_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)+(0.0233P)²+4.0465P] 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       0.00114(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3192
_refine_ls_number_parameters     125
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0303
_refine_ls_wR_factor_ref         0.0658
_refine_ls_wR_factor_gt          0.0619
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.000
_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 0.87816(4) 0.35632(4) 0.18603(3) 0.01914(11) Uani 1 1 d . . .
W2 W 0.76250(5) -0.18861(4) 0.25581(3) 0.01976(11) Uani 1 1 d . . .
W3 W 0.38113(5) 0.14969(4) 0.38866(4) 0.02706(11) Uani 1 1 d . . .
K1 K 0.3513(3) 0.4325(2) 0.1129(2) 0.0274(4) Uani 1 1 d . . .
K2 K 0.0000 0.0000 0.0000 0.0320(7) Uani 1 2 d S . .
K3 K 0.2204(3) 0.7615(2) 0.22388(19) 0.0242(4) Uani 1 1 d . . .
K4 K 0.2551(3) 0.4792(2) 0.5264(2) 0.0345(5) Uani 1 1 d . . .
K5 K 0.5000 0.0000 0.0000 0.0385(7) Uani 1 2 d S . .
Mg1 Mg 0.8431(5) 0.1219(3) 0.4479(3) 0.0365(8) Uani 1 1 d . . .
O1 O 0.7566(8) -0.0090(6) 0.2683(6) 0.0266(13) Uiso 1 1 d . . .
O2 O 0.5538(9) -0.3080(7) 0.2680(6) 0.0319(15) Uiso 1 1 d . . .
O3 O 0.3890(8) 0.3248(7) 0.3676(6) 0.0315(14) Uiso 1 1 d . . .
O4 O 1.0921(9) 0.4880(7) 0.2096(7) 0.0361(16) Uiso 1 1 d . . .
O5 O 0.9645(8) -0.2212(7) 0.3715(6) 0.0300(14) Uiso 1 1 d . . .
O6 O 0.6114(9) 0.1502(7) 0.4916(7) 0.0375(16) Uiso 1 1 d . . .
O7 O 0.8871(10) 0.3000(8) 0.3531(7) 0.0432(17) Uiso 1 1 d . . .
O8 O 0.8443(9) 0.2162(8) 0.0563(7) 0.0417(17) Uiso 1 1 d . . .
O9 O 0.3216(9) 0.0525(7) 0.2217(6) 0.0331(15) Uiso 1 1 d . . .
O10 O 0.8017(10) -0.0750(8) 0.5337(8) 0.0479(19) Uiso 1 1 d . . .
O11 O 0.7760(10) -0.2189(8) 0.0869(8) 0.0490(19) Uiso 1 1 d . . .
O12 O 0.6964(11) 0.4346(9) 0.1355(8) 0.052(2) Uiso 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 O4 1.749(7) . ?
W1 O12 1.750(7) . ?
W1 O8 1.759(7) . ?
W1 O7 1.786(7) . ?
W1 K4 3.681(2) 1_655 ?
W1 K4 3.759(2) 2_666 ?
W1 K1 3.8165(19) 1_655 ?
W1 K5 3.8749(9) . ?
W1 K3 4.0074(19) 2_665 ?
W1 K1 4.027(2) 2_665 ?
W1 K3 4.091(2) 1_655 ?
W2 O11 1.743(7) . ?
W2 O2 1.762(6) . ?
W2 O5 1.779(6) . ?
W2 O1 1.792(6) . ?
W2 Mg1 3.343(3) . ?
W2 K4 3.710(2) 2_656 ?
W2 K5 3.7189(7) . ?
W2 K3 3.8004(19) 1_645 ?
W2 K2 3.8514(6) 1_655 ?
W2 K3 3.997(2) 1_545 ?
W2 K1 4.036(2) 2_655 ?
W2 K1 4.068(2) 1_545 ?
W3 O3 1.747(6) . ?
W3 O9 1.756(6) . ?
W3 O6 1.782(6) . ?
W3 O10 1.811(7) 2_656 ?
W3 K3 3.820(2) 1_545 ?
W3 K4 3.848(2) 2_666 ?
W3 K4 3.939(2) . ?
W3 K1 4.055(2) . ?
W3 K2 4.0609(9) . ?
W3 K3 4.083(2) 2_666 ?
K1 O11 2.594(8) 2_655 ?
K1 O12 2.605(8) . ?
K1 O4 2.628(6) 1_455 ?
K1 O2 2.730(7) 1_565 ?
K1 O3 2.796(7) . ?
K1 O12 2.864(8) 2_665 ?
K1 K1 3.724(4) 2_665 ?
K1 W1 3.8165(19) 1_455 ?
K1 K3 3.863(3) . ?
K1 K4 3.875(3) 2_666 ?
K1 W1 4.027(2) 2_665 ?
K1 W2 4.036(2) 2_655 ?
K2 O9 2.720(6) 2 ?
K2 O9 2.720(6) . ?
K2 O11 2.738(8) 2_655 ?
K2 O11 2.738(8) 1_455 ?
K2 O8 2.831(7) 1_455 ?
K2 O8 2.831(7) 2_655 ?
K2 K3 3.761(2) 2_565 ?
K2 K3 3.761(2) 1_545 ?
K2 W2 3.8514(6) 2_655 ?
K2 W2 3.8514(6) 1_455 ?
K2 K5 3.8627(7) 1_455 ?
K2 K5 3.8628(7) . ?
K3 O4 2.601(7) 1_455 ?
K3 O8 2.745(7) 2_665 ?
K3 O6 2.755(7) 2_666 ?
K3 O2 2.766(6) 1_565 ?
K3 O9 2.779(7) 1_565 ?
K3 O5 2.822(6) 1_465 ?
K3 O11 3.377(7) 1_465 ?
K3 Mg1 3.638(3) 2_666 ?
K3 K2 3.761(2) 1_565 ?
K3 W2 3.8004(19) 1_465 ?
K3 W3 3.820(2) 1_565 ?
K4 O3 2.735(6) . ?
K4 O3 2.766(7) 2_666 ?
K4 O7 2.888(7) 1_455 ?
K4 O7 3.037(7) 2_666 ?
K4 O2 3.055(7) 2_656 ?
K4 O5 3.066(7) 2_656 ?
K4 O4 3.084(7) 1_455 ?
K4 O12 3.341(8) 2_666 ?
K4 W1 3.681(2) 1_455 ?
K4 W2 3.710(2) 2_656 ?
K4 W1 3.759(2) 2_666 ?
K4 W3 3.848(2) 2_666 ?
K5 O8 2.809(7) . ?
K5 O8 2.809(7) 2_655 ?
K5 O1 2.874(6) 2_655 ?
K5 O1 2.874(6) . ?
K5 O9 3.023(6) . ?
K5 O9 3.023(6) 2_655 ?
K5 O11 3.418(7) 2_655 ?
K5 O11 3.418(7) . ?
K5 W2 3.7189(6) 2_655 ?
K5 K2 3.8628(7) 1_655 ?
Mg1 O5 1.982(7) 2_756 ?
Mg1 O1 1.989(6) . ?
Mg1 O6 2.046(7) . ?
Mg1 O7 2.047(8) . ?
Mg1 O10 2.159(8) . ?
Mg1 K3 3.638(3) 2_666 ?
Mg1 K4 3.926(4) 1_655 ?
Mg1 K4 4.231(4) 2_666 ?
O2 K1 2.730(7) 1_545 ?
O2 K3 2.766(6) 1_545 ?
O2 K4 3.055(7) 2_656 ?
O3 K4 2.766(7) 2_666 ?
O4 K3 2.601(7) 1_655 ?
O4 K1 2.628(6) 1_655 ?
O4 K4 3.084(7) 1_655 ?
O5 Mg1 1.982(7) 2_756 ?
O5 K3 2.822(6) 1_645 ?
O5 K4 3.066(7) 2_656 ?
O6 K3 2.755(7) 2_666 ?
O7 K4 2.888(7) 1_655 ?
O7 K4 3.037(7) 2_666 ?
O8 K3 2.745(7) 2_665 ?
O8 K2 2.831(7) 1_655 ?
O9 K3 2.779(7) 1_545 ?
O10 W3 1.811(7) 2_656 ?
O11 K1 2.594(8) 2_655 ?
O11 K2 2.738(8) 1_655 ?
O11 K3 3.377(7) 1_645 ?
O12 K1 2.864(8) 2_665 ?
O12 K4 3.341(8) 2_666 ?

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
O4 W1 O12 107.4(3) . . ?
O4 W1 O8 110.7(3) . . ?
O12 W1 O8 110.3(3) . . ?
O4 W1 O7 106.9(3) . . ?
O12 W1 O7 108.9(3) . . ?
O8 W1 O7 112.5(3) . . ?
O4 W1 K4 56.6(2) . 1_655 ?
O12 W1 K4 121.3(3) . 1_655 ?
O8 W1 K4 128.4(2) . 1_655 ?
O7 W1 K4 50.3(2) . 1_655 ?
O4 W1 K4 96.9(2) . 2_666 ?
O12 W1 K4 62.7(2) . 2_666 ?
O8 W1 K4 152.1(2) . 2_666 ?
O7 W1 K4 52.9(2) . 2_666 ?
K4 W1 K4 64.35(5) 1_655 2_666 ?
O4 W1 K1 36.6(2) . 1_655 ?
O12 W1 K1 130.9(3) . 1_655 ?
O8 W1 K1 75.4(2) . 1_655 ?
O7 W1 K1 113.3(2) . 1_655 ?
K4 W1 K1 72.65(4) 1_655 1_655 ?
K4 W1 K1 130.68(4) 2_666 1_655 ?
O4 W1 K5 152.1(2) . . ?
O12 W1 K5 86.8(3) . . ?
O8 W1 K5 41.4(2) . . ?
O7 W1 K5 90.2(2) . . ?
K4 W1 K5 135.67(4) 1_655 . ?
K4 W1 K5 111.01(4) 2_666 . ?
K1 W1 K5 116.46(3) 1_655 . ?
O4 W1 K3 95.2(2) . 2_665 ?
O12 W1 K3 87.2(2) . 2_665 ?
O8 W1 K3 34.5(2) . 2_665 ?
O7 W1 K3 146.5(2) . 2_665 ?
K4 W1 K3 143.41(4) 1_655 2_665 ?
K4 W1 K3 149.67(4) 2_666 2_665 ?
K1 W1 K3 71.13(4) 1_655 2_665 ?
K5 W1 K3 60.78(3) . 2_665 ?
O4 W1 K1 85.8(2) . 2_665 ?
O12 W1 K1 38.2(2) . 2_665 ?
O8 W1 K1 90.2(2) . 2_665 ?
O7 W1 K1 146.8(2) . 2_665 ?
K4 W1 K1 131.93(5) 1_655 2_665 ?
K4 W1 K1 95.84(4) 2_666 2_665 ?
K1 W1 K1 95.34(4) 1_655 2_665 ?
K5 W1 K1 91.78(3) . 2_665 ?
K3 W1 K1 57.48(4) 2_665 2_665 ?
O4 W1 K3 24.4(2) . 1_655 ?
O12 W1 K3 83.4(3) . 1_655 ?
O8 W1 K3 125.1(2) . 1_655 ?
O7 W1 K3 112.0(2) . 1_655 ?
K4 W1 K3 65.99(5) 1_655 1_655 ?
K4 W1 K3 82.11(4) 2_666 1_655 ?
K1 W1 K3 58.37(4) 1_655 1_655 ?
K5 W1 K3 157.58(3) . 1_655 ?
K3 W1 K3 98.55(4) 2_665 1_655 ?
K1 W1 K3 68.22(4) 2_665 1_655 ?
O11 W2 O2 109.3(3) . . ?
O11 W2 O5 106.1(3) . . ?
O2 W2 O5 109.9(3) . . ?
O11 W2 O1 102.2(3) . . ?
O2 W2 O1 112.3(3) . . ?
O5 W2 O1 116.4(3) . . ?
O11 W2 Mg1 128.1(3) . . ?
O2 W2 Mg1 108.6(2) . . ?
O5 W2 Mg1 92.6(2) . . ?
O1 W2 Mg1 29.44(19) . . ?
O11 W2 K4 119.2(3) . 2_656 ?
O2 W2 K4 54.8(2) . 2_656 ?
O5 W2 K4 55.2(2) . 2_656 ?
O1 W2 K4 138.57(19) . 2_656 ?
Mg1 W2 K4 111.33(6) . 2_656 ?
O11 W2 K5 66.4(2) . . ?
O2 W2 K5 93.4(2) . . ?
O5 W2 K5 156.5(2) . . ?
O1 W2 K5 48.80(19) . . ?
Mg1 W2 K5 77.27(6) . . ?
K4 W2 K5 148.19(3) 2_656 . ?
O11 W2 K3 62.7(2) . 1_645 ?
O2 W2 K3 132.5(2) . 1_645 ?
O5 W2 K3 44.52(19) . 1_645 ?
O1 W2 K3 115.19(18) . 1_645 ?
Mg1 W2 K3 111.23(7) . 1_645 ?
K4 W2 K3 86.83(4) 2_656 1_645 ?
K5 W2 K3 119.55(3) . 1_645 ?
O11 W2 K2 39.4(3) . 1_655 ?
O2 W2 K2 144.3(2) . 1_655 ?
O5 W2 K2 98.3(2) . 1_655 ?
O1 W2 K2 71.38(18) . 1_655 ?
Mg1 W2 K2 90.98(6) . 1_655 ?
K4 W2 K2 144.56(3) 2_656 1_655 ?
K5 W2 K2 61.332(13) . 1_655 ?
K3 W2 K2 58.87(3) 1_645 1_655 ?
O11 W2 K3 108.0(2) . 1_545 ?
O2 W2 K3 35.8(2) . 1_545 ?
O5 W2 K3 138.7(2) . 1_545 ?
O1 W2 K3 78.12(18) . 1_545 ?
Mg1 W2 K3 84.33(7) . 1_545 ?
K4 W2 K3 87.64(4) 2_656 1_545 ?
K5 W2 K3 62.14(3) . 1_545 ?
K3 W2 K3 164.43(6) 1_645 1_545 ?
K2 W2 K3 122.88(3) 1_655 1_545 ?
O11 W2 K1 26.5(3) . 2_655 ?
O2 W2 K1 85.4(2) . 2_655 ?
O5 W2 K1 105.39(19) . 2_655 ?
O1 W2 K1 123.19(19) . 2_655 ?
Mg1 W2 K1 152.12(6) . 2_655 ?
K4 W2 K1 96.48(5) 2_656 2_655 ?
K5 W2 K1 77.95(3) . 2_655 ?
K3 W2 K1 70.98(4) 1_645 2_655 ?
K2 W2 K1 65.82(3) 1_655 2_655 ?
K3 W2 K1 95.23(4) 1_545 2_655 ?
O11 W2 K1 80.3(3) . 1_545 ?
O2 W2 K1 31.7(2) . 1_545 ?
O5 W2 K1 107.5(2) . 1_545 ?
O1 W2 K1 132.92(18) . 1_545 ?
Mg1 W2 K1 139.49(7) . 1_545 ?
K4 W2 K1 59.55(4) 2_656 1_545 ?
K5 W2 K1 93.45(3) . 1_545 ?
K3 W2 K1 107.63(4) 1_645 1_545 ?
K2 W2 K1 119.24(3) 1_655 1_545 ?
K3 W2 K1 57.24(4) 1_545 1_545 ?
K1 W2 K1 54.71(5) 2_655 1_545 ?
O3 W3 O9 108.2(3) . . ?
O3 W3 O6 107.8(3) . . ?
O9 W3 O6 109.5(3) . . ?
O3 W3 O10 109.2(3) . 2_656 ?
O9 W3 O10 108.5(3) . 2_656 ?
O6 W3 O10 113.5(3) . 2_656 ?
O3 W3 K3 148.4(2) . 1_545 ?
O9 W3 K3 42.1(2) . 1_545 ?
O6 W3 K3 95.4(2) . 1_545 ?
O10 W3 K3 79.2(2) 2_656 1_545 ?
O3 W3 K4 40.6(2) . 2_666 ?
O9 W3 K4 118.4(2) . 2_666 ?
O6 W3 K4 67.4(2) . 2_666 ?
O10 W3 K4 129.8(2) 2_656 2_666 ?
K3 W3 K4 149.84(4) 1_545 2_666 ?
O3 W3 K4 36.33(19) . . ?
O9 W3 K4 133.5(2) . . ?
O6 W3 K4 110.6(2) . . ?
O10 W3 K4 75.5(2) 2_656 . ?
K3 W3 K4 149.20(4) 1_545 . ?
K4 W3 K4 59.84(5) 2_666 . ?
O3 W3 K1 34.5(2) . . ?
O9 W3 K1 73.9(2) . . ?
O6 W3 K1 117.2(2) . . ?
O10 W3 K1 124.7(2) 2_656 . ?
K3 W3 K1 115.42(4) 1_545 . ?
K4 W3 K1 58.67(4) 2_666 . ?
K4 W3 K1 67.51(4) . . ?
O3 W3 K2 92.1(2) . . ?
O9 W3 K2 31.38(19) . . ?
O6 W3 K2 140.9(2) . . ?
O10 W3 K2 89.7(2) 2_656 . ?
K3 W3 K2 56.91(3) 1_545 . ?
K4 W3 K2 121.82(4) 2_666 . ?
K4 W3 K2 105.36(3) . . ?
K1 W3 K2 63.79(3) . . ?
O3 W3 K3 96.7(2) . 2_666 ?
O9 W3 K3 141.2(2) . 2_666 ?
O6 W3 K3 32.6(2) . 2_666 ?
O10 W3 K3 90.0(2) 2_656 2_666 ?
K3 W3 K3 114.06(3) 1_545 2_666 ?
K4 W3 K3 64.67(4) 2_666 2_666 ?
K4 W3 K3 83.45(4) . 2_666 ?
K1 W3 K3 123.30(4) . 2_666 ?
K2 W3 K3 170.81(3) . 2_666 ?
O11 K1 O12 89.6(2) 2_655 . ?
O11 K1 O4 114.7(2) 2_655 1_455 ?
O12 K1 O4 153.3(2) . 1_455 ?
O11 K1 O2 161.2(2) 2_655 1_565 ?
O12 K1 O2 78.8(2) . 1_565 ?
O4 K1 O2 80.1(2) 1_455 1_565 ?
O11 K1 O3 107.7(2) 2_655 . ?
O12 K1 O3 88.8(2) . . ?
O4 K1 O3 73.79(19) 1_455 . ?
O2 K1 O3 87.06(19) 1_565 . ?
O11 K1 O12 77.1(2) 2_655 2_665 ?
O12 K1 O12 94.3(2) . 2_665 ?
O4 K1 O12 101.5(2) 1_455 2_665 ?
O2 K1 O12 88.9(2) 1_565 2_665 ?
O3 K1 O12 174.3(2) . 2_665 ?
O11 K1 K1 79.90(17) 2_655 2_665 ?
O12 K1 K1 50.09(18) . 2_665 ?
O4 K1 K1 141.14(18) 1_455 2_665 ?
O2 K1 K1 81.31(15) 1_565 2_665 ?
O3 K1 K1 138.70(15) . 2_665 ?
O12 K1 K1 44.23(15) 2_665 2_665 ?
O11 K1 W1 92.75(17) 2_655 1_455 ?
O12 K1 W1 159.99(19) . 1_455 ?
O4 K1 W1 23.37(15) 1_455 1_455 ?
O2 K1 W1 103.20(13) 1_565 1_455 ?
O3 K1 W1 71.51(13) . 1_455 ?
O12 K1 W1 105.59(16) 2_665 1_455 ?
K1 K1 W1 149.76(9) 2_665 1_455 ?
O11 K1 K3 139.47(17) 2_655 . ?
O12 K1 K3 123.54(19) . . ?
O4 K1 K3 42.09(16) 1_455 . ?
O2 K1 K3 45.73(13) 1_565 . ?
O3 K1 K3 96.56(13) . . ?
O12 K1 K3 77.73(16) 2_665 . ?
K1 K1 K3 102.88(8) 2_665 . ?
W1 K1 K3 64.37(4) 1_455 . ?
O11 K1 K4 132.75(18) 2_655 2_666 ?
O12 K1 K4 58.18(17) . 2_666 ?
O4 K1 K4 95.65(15) 1_455 2_666 ?
O2 K1 K4 51.62(14) 1_565 2_666 ?
O3 K1 K4 45.52(14) . 2_666 ?
O12 K1 K4 133.18(17) 2_665 2_666 ?
K1 K1 K4 99.07(8) 2_665 2_666 ?
W1 K1 K4 107.13(5) 1_455 2_666 ?
K3 K1 K4 87.27(6) . 2_666 ?
O11 K1 W1 85.14(18) 2_655 2_665 ?
O12 K1 W1 115.34(18) . 2_665 ?
O4 K1 W1 79.41(15) 1_455 2_665 ?
O2 K1 W1 86.49(14) 1_565 2_665 ?
O3 K1 W1 153.13(13) . 2_665 ?
O12 K1 W1 22.19(15) 2_665 2_665 ?
K1 K1 W1 65.61(6) 2_665 2_665 ?
W1 K1 W1 84.66(4) 1_455 2_665 ?
K3 K1 W1 61.00(4) . 2_665 ?
K4 K1 W1 137.83(7) 2_666 2_665 ?
O11 K1 W2 17.43(17) 2_655 2_655 ?
O12 K1 W2 82.14(17) . 2_655 ?
O4 K1 W2 124.30(16) 1_455 2_655 ?
O2 K1 W2 143.99(15) 1_565 2_655 ?
O3 K1 W2 122.92(14) . 2_655 ?
O12 K1 W2 62.36(16) 2_665 2_655 ?
K1 K1 W2 63.09(5) 2_665 2_655 ?
W1 K1 W2 105.09(5) 1_455 2_655 ?
K3 K1 W2 134.65(6) . 2_655 ?
K4 K1 W2 135.61(6) 2_666 2_655 ?
W1 K1 W2 74.51(4) 2_665 2_655 ?
O9 K2 O9 180.0(2) 2 . ?
O9 K2 O11 98.1(2) 2 2_655 ?
O9 K2 O11 81.9(2) . 2_655 ?
O9 K2 O11 81.9(2) 2 1_455 ?
O9 K2 O11 98.1(2) . 1_455 ?
O11 K2 O11 180.0(3) 2_655 1_455 ?
O9 K2 O8 76.36(19) 2 1_455 ?
O9 K2 O8 103.64(19) . 1_455 ?
O11 K2 O8 80.9(2) 2_655 1_455 ?
O11 K2 O8 99.1(2) 1_455 1_455 ?
O9 K2 O8 103.64(19) 2 2_655 ?
O9 K2 O8 76.36(19) . 2_655 ?
O11 K2 O8 99.1(2) 2_655 2_655 ?
O11 K2 O8 80.9(2) 1_455 2_655 ?
O8 K2 O8 180.0(4) 1_455 2_655 ?
O9 K2 K3 47.52(14) 2 2_565 ?
O9 K2 K3 132.48(14) . 2_565 ?
O11 K2 K3 60.21(15) 2_655 2_565 ?
O11 K2 K3 119.79(15) 1_455 2_565 ?
O8 K2 K3 46.64(14) 1_455 2_565 ?
O8 K2 K3 133.36(14) 2_655 2_565 ?
O9 K2 K3 132.48(14) 2 1_545 ?
O9 K2 K3 47.52(14) . 1_545 ?
O11 K2 K3 119.79(15) 2_655 1_545 ?
O11 K2 K3 60.21(15) 1_455 1_545 ?
O8 K2 K3 133.36(14) 1_455 1_545 ?
O8 K2 K3 46.64(14) 2_655 1_545 ?
K3 K2 K3 180.0 2_565 1_545 ?
O9 K2 W2 83.37(13) 2 2_655 ?
O9 K2 W2 96.63(13) . 2_655 ?
O11 K2 W2 23.84(15) 2_655 2_655 ?
O11 K2 W2 156.16(15) 1_455 2_655 ?
O8 K2 W2 95.46(14) 1_455 2_655 ?
O8 K2 W2 84.54(14) 2_655 2_655 ?
K3 K2 W2 59.89(3) 2_565 2_655 ?
K3 K2 W2 120.11(3) 1_545 2_655 ?
O9 K2 W2 96.63(13) 2 1_455 ?
O9 K2 W2 83.37(13) . 1_455 ?
O11 K2 W2 156.16(15) 2_655 1_455 ?
O11 K2 W2 23.84(15) 1_455 1_455 ?
O8 K2 W2 84.54(14) 1_455 1_455 ?
O8 K2 W2 95.46(14) 2_655 1_455 ?
K3 K2 W2 120.11(3) 2_565 1_455 ?
K3 K2 W2 59.89(3) 1_545 1_455 ?
W2 K2 W2 180.0 2_655 1_455 ?
O9 K2 K5 51.15(12) 2 1_455 ?
O9 K2 K5 128.85(12) . 1_455 ?
O11 K2 K5 120.51(15) 2_655 1_455 ?
O11 K2 K5 59.49(15) 1_455 1_455 ?
O8 K2 K5 46.53(14) 1_455 1_455 ?
O8 K2 K5 133.47(14) 2_655 1_455 ?
K3 K2 K5 63.08(3) 2_565 1_455 ?
K3 K2 K5 116.92(3) 1_545 1_455 ?
W2 K2 K5 122.356(10) 2_655 1_455 ?
W2 K2 K5 57.644(10) 1_455 1_455 ?
O9 K2 K5 128.85(12) 2 . ?
O9 K2 K5 51.15(12) . . ?
O11 K2 K5 59.49(15) 2_655 . ?
O11 K2 K5 120.51(15) 1_455 . ?
O8 K2 K5 133.47(14) 1_455 . ?
O8 K2 K5 46.53(14) 2_655 . ?
K3 K2 K5 116.92(3) 2_565 . ?
K3 K2 K5 63.08(3) 1_545 . ?
W2 K2 K5 57.644(11) 2_655 . ?
W2 K2 K5 122.356(10) 1_455 . ?
K5 K2 K5 180.0 1_455 . ?
O4 K3 O8 100.1(2) 1_455 2_665 ?
O4 K3 O6 102.6(2) 1_455 2_666 ?
O8 K3 O6 155.7(2) 2_665 2_666 ?
O4 K3 O2 79.9(2) 1_455 1_565 ?
O8 K3 O2 96.90(19) 2_665 1_565 ?
O6 K3 O2 78.94(19) 2_666 1_565 ?
O4 K3 O9 174.2(2) 1_455 1_565 ?
O8 K3 O9 76.8(2) 2_665 1_565 ?
O6 K3 O9 81.2(2) 2_666 1_565 ?
O2 K3 O9 105.18(19) 1_565 1_565 ?
O4 K3 O5 86.6(2) 1_455 1_465 ?
O8 K3 O5 124.3(2) 2_665 1_465 ?
O6 K3 O5 65.81(18) 2_666 1_465 ?
O2 K3 O5 138.34(19) 1_565 1_465 ?
O9 K3 O5 91.12(18) 1_565 1_465 ?
O4 K3 O11 91.0(2) 1_455 1_465 ?
O8 K3 O11 71.46(19) 2_665 1_465 ?
O6 K3 O11 116.28(19) 2_666 1_465 ?
O2 K3 O11 163.88(19) 1_565 1_465 ?
O9 K3 O11 83.44(19) 1_565 1_465 ?
O5 K3 O11 53.11(18) 1_465 1_465 ?
O4 K3 Mg1 100.61(16) 1_455 2_666 ?
O8 K3 Mg1 146.86(16) 2_665 2_666 ?
O6 K3 Mg1 33.88(14) 2_666 2_666 ?
O2 K3 Mg1 111.98(15) 1_565 2_666 ?
O9 K3 Mg1 80.09(14) 1_565 2_666 ?
O5 K3 Mg1 32.74(14) 1_465 2_666 ?
O11 K3 Mg1 82.63(14) 1_465 2_666 ?
O4 K3 K2 128.21(15) 1_455 1_565 ?
O8 K3 K2 48.57(14) 2_665 1_565 ?
O6 K3 K2 119.11(15) 2_666 1_565 ?
O2 K3 K2 134.25(14) 1_565 1_565 ?
O9 K3 K2 46.19(13) 1_565 1_565 ?
O5 K3 K2 84.23(13) 1_465 1_565 ?
O11 K3 K2 44.71(13) 1_465 1_565 ?
Mg1 K3 K2 98.38(7) 2_666 1_565 ?
O4 K3 W2 92.08(14) 1_455 1_465 ?
O8 K3 W2 98.11(14) 2_665 1_465 ?
O6 K3 W2 89.49(14) 2_666 1_465 ?
O2 K3 W2 164.03(14) 1_565 1_465 ?
O9 K3 W2 83.59(13) 1_565 1_465 ?
O5 K3 W2 26.24(12) 1_465 1_465 ?
O11 K3 W2 27.30(12) 1_465 1_465 ?
Mg1 K3 W2 55.63(7) 2_666 1_465 ?
K2 K3 W2 61.24(3) 1_565 1_465 ?
O4 K3 W3 156.96(15) 1_455 1_565 ?
O8 K3 W3 101.82(16) 2_665 1_565 ?
O6 K3 W3 57.09(15) 2_666 1_565 ?
O2 K3 W3 104.18(15) 1_565 1_565 ?
O9 K3 W3 25.09(13) 1_565 1_565 ?
O5 K3 W3 75.28(14) 1_465 1_565 ?
O11 K3 W3 89.41(14) 1_465 1_565 ?
Mg1 K3 W3 56.61(6) 2_666 1_565 ?
K2 K3 W3 64.78(3) 1_565 1_565 ?
W2 K3 W3 77.99(4) 1_465 1_565 ?
O4 K3 K1 42.63(14) 1_455 . ?
O8 K3 K1 81.58(15) 2_665 . ?
O6 K3 K1 109.99(15) 2_666 . ?
O2 K3 K1 44.96(14) 1_565 . ?
O9 K3 K1 140.28(14) 1_565 . ?
O5 K3 K1 128.49(15) 1_465 . ?
O11 K3 K1 120.44(14) 1_465 . ?
Mg1 K3 K1 130.44(8) 2_666 . ?
K2 K3 K1 129.52(6) 1_565 . ?
W2 K3 K1 132.67(6) 1_465 . ?
W3 K3 K1 148.83(6) 1_565 . ?
O3 K4 O3 90.1(2) . 2_666 ?
O3 K4 O7 84.37(19) . 1_455 ?
O3 K4 O7 166.1(2) 2_666 1_455 ?
O3 K4 O7 165.5(2) . 2_666 ?
O3 K4 O7 86.05(19) 2_666 2_666 ?
O7 K4 O7 96.1(2) 1_455 2_666 ?
O3 K4 O2 76.06(18) . 2_656 ?
O3 K4 O2 81.50(19) 2_666 2_656 ?
O7 K4 O2 109.3(2) 1_455 2_656 ?
O7 K4 O2 117.08(19) 2_666 2_656 ?
O3 K4 O5 94.66(19) . 2_656 ?
O3 K4 O5 134.85(19) 2_666 2_656 ?
O7 K4 O5 58.52(19) 1_455 2_656 ?
O7 K4 O5 97.96(18) 2_666 2_656 ?
O2 K4 O5 56.56(17) 2_656 2_656 ?
O3 K4 O4 67.80(18) . 1_455 ?
O3 K4 O4 109.49(19) 2_666 1_455 ?
O7 K4 O4 56.66(19) 1_455 1_455 ?
O7 K4 O4 100.30(19) 2_666 1_455 ?
O2 K4 O4 141.92(18) 2_656 1_455 ?
O5 K4 O4 113.85(18) 2_656 1_455 ?
O3 K4 O12 138.8(2) . 2_666 ?
O3 K4 O12 75.89(19) 2_666 2_666 ?
O7 K4 O12 116.3(2) 1_455 2_666 ?
O7 K4 O12 53.37(19) 2_666 2_666 ?
O2 K4 O12 63.77(18) 2_656 2_666 ?
O5 K4 O12 71.24(19) 2_656 2_666 ?
O4 K4 O12 153.37(19) 1_455 2_666 ?
O3 K4 W1 74.40(14) . 1_455 ?
O3 K4 W1 137.74(15) 2_666 1_455 ?
O7 K4 W1 28.41(14) 1_455 1_455 ?
O7 K4 W1 99.21(14) 2_666 1_455 ?
O2 K4 W1 129.57(14) 2_656 1_455 ?
O5 K4 W1 86.27(13) 2_656 1_455 ?
O4 K4 W1 28.24(13) 1_455 1_455 ?
O12 K4 W1 139.40(14) 2_666 1_455 ?
O3 K4 W2 85.74(15) . 2_656 ?
O3 K4 W2 107.95(15) 2_666 2_656 ?
O7 K4 W2 84.37(16) 1_455 2_656 ?
O7 K4 W2 108.77(15) 2_666 2_656 ?
O2 K4 W2 28.12(12) 2_656 2_656 ?
O5 K4 W2 28.47(11) 2_656 2_656 ?
O4 K4 W2 133.55(15) 1_455 2_656 ?
O12 K4 W2 63.24(14) 2_666 2_656 ?
W1 K4 W2 109.74(6) 1_455 2_656 ?
O3 K4 W1 165.97(15) . 2_666 ?
O3 K4 W1 88.03(13) 2_666 2_666 ?
O7 K4 W1 100.30(14) 1_455 2_666 ?
O7 K4 W1 27.97(14) 2_666 2_666 ?
O2 K4 W1 89.91(12) 2_656 2_666 ?
O5 K4 W1 76.97(12) 2_656 2_666 ?
O4 K4 W1 125.79(13) 1_455 2_666 ?
O12 K4 W1 27.73(13) 2_666 2_666 ?
W1 K4 W1 115.65(5) 1_455 2_666 ?
W2 K4 W1 81.61(5) 2_656 2_666 ?
O3 K4 W3 103.81(15) . 2_666 ?
O3 K4 W3 24.29(13) 2_666 2_666 ?
O7 K4 W3 146.48(16) 1_455 2_666 ?
O7 K4 W3 68.11(14) 2_666 2_666 ?
O2 K4 W3 104.19(13) 2_656 2_666 ?
O5 K4 W3 149.34(13) 2_656 2_666 ?
O4 K4 W3 95.87(14) 1_455 2_666 ?
O12 K4 W3 78.82(15) 2_666 2_666 ?
W1 K4 W3 122.00(6) 1_455 2_666 ?
W2 K4 W3 128.14(6) 2_656 2_666 ?
W1 K4 W3 79.65(4) 2_666 2_666 ?
O8 K5 O8 180.0(3) . 2_655 ?
O8 K5 O1 110.43(19) . 2_655 ?
O8 K5 O1 69.57(19) 2_655 2_655 ?
O8 K5 O1 69.57(19) . . ?
O8 K5 O1 110.43(19) 2_655 . ?
O1 K5 O1 180.00(16) 2_655 . ?
O8 K5 O9 108.00(18) . . ?
O8 K5 O9 72.00(18) 2_655 . ?
O1 K5 O9 107.65(16) 2_655 . ?
O1 K5 O9 72.35(16) . . ?
O8 K5 O9 72.00(18) . 2_655 ?
O8 K5 O9 108.00(18) 2_655 2_655 ?
O1 K5 O9 72.35(16) 2_655 2_655 ?
O1 K5 O9 107.65(16) . 2_655 ?
O9 K5 O9 180.0(4) . 2_655 ?
O8 K5 O11 94.76(19) . 2_655 ?
O8 K5 O11 85.24(19) 2_655 2_655 ?
O1 K5 O11 50.96(17) 2_655 2_655 ?
O1 K5 O11 129.04(17) . 2_655 ?
O9 K5 O11 67.17(17) . 2_655 ?
O9 K5 O11 112.83(17) 2_655 2_655 ?
O8 K5 O11 85.24(19) . . ?
O8 K5 O11 94.76(19) 2_655 . ?
O1 K5 O11 129.04(17) 2_655 . ?
O1 K5 O11 50.96(17) . . ?
O9 K5 O11 112.83(17) . . ?
O9 K5 O11 67.17(17) 2_655 . ?
O11 K5 O11 180.00(19) 2_655 . ?
O8 K5 W2 92.60(14) . 2_655 ?
O8 K5 W2 87.40(14) 2_655 2_655 ?
O1 K5 W2 27.97(12) 2_655 2_655 ?
O1 K5 W2 152.03(12) . 2_655 ?
O9 K5 W2 94.29(12) . 2_655 ?
O9 K5 W2 85.71(12) 2_655 2_655 ?
O11 K5 W2 27.87(12) 2_655 2_655 ?
O11 K5 W2 152.13(12) . 2_655 ?
O8 K5 W2 87.40(14) . . ?
O8 K5 W2 92.60(14) 2_655 . ?
O1 K5 W2 152.03(12) 2_655 . ?
O1 K5 W2 27.97(12) . . ?
O9 K5 W2 85.71(12) . . ?
O9 K5 W2 94.29(12) 2_655 . ?
O11 K5 W2 152.13(12) 2_655 . ?
O11 K5 W2 27.87(12) . . ?
W2 K5 W2 180.0 2_655 . ?
O8 K5 K2 132.99(14) . . ?
O8 K5 K2 47.01(14) 2_655 . ?
O1 K5 K2 64.54(11) 2_655 . ?
O1 K5 K2 115.46(11) . . ?
O9 K5 K2 44.48(12) . . ?
O9 K5 K2 135.52(12) 2_655 . ?
O11 K5 K2 43.65(13) 2_655 . ?
O11 K5 K2 136.35(13) . . ?
W2 K5 K2 61.024(11) 2_655 . ?
W2 K5 K2 118.976(11) . . ?
O8 K5 K2 47.01(14) . 1_655 ?
O8 K5 K2 132.99(14) 2_655 1_655 ?
O1 K5 K2 115.46(11) 2_655 1_655 ?
O1 K5 K2 64.54(11) . 1_655 ?
O9 K5 K2 135.52(12) . 1_655 ?
O9 K5 K2 44.48(12) 2_655 1_655 ?
O11 K5 K2 136.35(13) 2_655 1_655 ?
O11 K5 K2 43.65(13) . 1_655 ?
W2 K5 K2 118.976(11) 2_655 1_655 ?
W2 K5 K2 61.024(11) . 1_655 ?
K2 K5 K2 180.0 . 1_655 ?
O5 Mg1 O1 152.3(3) 2_756 . ?
O5 Mg1 O6 97.6(3) 2_756 . ?
O1 Mg1 O6 108.9(3) . . ?
O5 Mg1 O7 92.7(3) 2_756 . ?
O1 Mg1 O7 93.6(3) . . ?
O6 Mg1 O7 93.5(3) . . ?
O5 Mg1 O10 90.1(3) 2_756 . ?
O1 Mg1 O10 82.1(3) . . ?
O6 Mg1 O10 90.1(3) . . ?
O7 Mg1 O10 175.1(3) . . ?
O5 Mg1 W2 132.5(2) 2_756 . ?
O1 Mg1 W2 26.29(18) . . ?
O6 Mg1 W2 114.6(2) . . ?
O7 Mg1 W2 117.7(2) . . ?
O10 Mg1 W2 57.7(2) . . ?
O5 Mg1 K3 50.37(18) 2_756 2_666 ?
O1 Mg1 K3 151.2(2) . 2_666 ?
O6 Mg1 K3 48.7(2) . 2_666 ?
O7 Mg1 K3 104.4(2) . 2_666 ?
O10 Mg1 K3 80.4(2) . 2_666 ?
W2 Mg1 K3 136.38(10) . 2_666 ?
O5 Mg1 K4 50.3(2) 2_756 1_655 ?
O1 Mg1 K4 122.2(2) . 1_655 ?
O6 Mg1 K4 111.7(2) . 1_655 ?
O7 Mg1 K4 45.5(2) . 1_655 ?
O10 Mg1 K4 135.5(2) . 1_655 ?
W2 Mg1 K4 131.61(11) . 1_655 ?
K3 Mg1 K4 85.99(8) 2_666 1_655 ?
O5 Mg1 K4 78.3(2) 2_756 2_666 ?
O1 Mg1 K4 122.8(2) . 2_666 ?
O6 Mg1 K4 57.2(2) . 2_666 ?
O7 Mg1 K4 42.0(2) . 2_666 ?
O10 Mg1 K4 142.7(2) . 2_666 ?
W2 Mg1 K4 148.45(10) . 2_666 ?
K3 Mg1 K4 64.80(7) 2_666 2_666 ?
K4 Mg1 K4 57.98(6) 1_655 2_666 ?
W2 O1 Mg1 124.3(3) . . ?
W2 O1 K5 103.2(2) . . ?
Mg1 O1 K5 129.8(3) . . ?
W2 O2 K1 128.5(3) . 1_545 ?
W2 O2 K3 122.3(3) . 1_545 ?
K1 O2 K3 89.31(19) 1_545 1_545 ?
W2 O2 K4 97.1(2) . 2_656 ?
K1 O2 K4 83.91(18) 1_545 2_656 ?
K3 O2 K4 133.0(2) 1_545 2_656 ?
W3 O3 K4 121.4(3) . . ?
W3 O3 K4 115.1(3) . 2_666 ?
K4 O3 K4 89.85(19) . 2_666 ?
W3 O3 K1 124.8(3) . . ?
K4 O3 K1 106.9(2) . . ?
K4 O3 K1 88.34(19) 2_666 . ?
W1 O4 K3 139.5(3) . 1_655 ?
W1 O4 K1 120.1(3) . 1_655 ?
K3 O4 K1 95.3(2) 1_655 1_655 ?
W1 O4 K4 95.2(3) . 1_655 ?
K3 O4 K4 96.3(2) 1_655 1_655 ?
K1 O4 K4 101.8(2) 1_655 1_655 ?
W2 O5 Mg1 134.8(4) . 2_756 ?
W2 O5 K3 109.2(3) . 1_645 ?
Mg1 O5 K3 96.9(2) 2_756 1_645 ?
W2 O5 K4 96.3(2) . 2_656 ?
Mg1 O5 K4 99.9(2) 2_756 2_656 ?
K3 O5 K4 122.4(2) 1_645 2_656 ?
W3 O6 Mg1 134.9(4) . . ?
W3 O6 K3 127.0(3) . 2_666 ?
Mg1 O6 K3 97.5(3) . 2_666 ?
W1 O7 Mg1 142.0(4) . . ?
W1 O7 K4 101.3(3) . 1_655 ?
Mg1 O7 K4 104.1(3) . 1_655 ?
W1 O7 K4 99.1(3) . 2_666 ?
Mg1 O7 K4 111.2(3) . 2_666 ?
K4 O7 K4 83.90(19) 1_655 2_666 ?
W1 O8 K3 124.2(3) . 2_665 ?
W1 O8 K5 114.1(3) . . ?
K3 O8 K5 91.8(2) 2_665 . ?
W1 O8 K2 141.6(3) . 1_655 ?
K3 O8 K2 84.80(19) 2_665 1_655 ?
K5 O8 K2 86.5(2) . 1_655 ?
W3 O9 K2 129.0(3) . . ?
W3 O9 K3 112.8(3) . 1_545 ?
K2 O9 K3 86.29(19) . 1_545 ?
W3 O9 K5 140.4(3) . . ?
K2 O9 K5 84.37(16) . . ?
K3 O9 K5 86.75(17) 1_545 . ?
W3 O10 Mg1 125.9(4) 2_656 . ?
W2 O11 K1 136.1(4) . 2_655 ?
W2 O11 K2 116.8(4) . 1_655 ?
K1 O11 K2 107.0(3) 2_655 1_655 ?
W2 O11 K3 90.0(3) . 1_645 ?
K1 O11 K3 98.5(2) 2_655 1_645 ?
K2 O11 K3 75.08(17) 1_655 1_645 ?
W2 O11 K5 85.7(3) . . ?
K1 O11 K5 107.9(2) 2_655 . ?
K2 O11 K5 76.86(18) 1_655 . ?
K3 O11 K5 146.0(3) 1_645 . ?
W1 O12 K1 149.5(4) . . ?
W1 O12 K1 119.6(3) . 2_665 ?
K1 O12 K1 85.7(2) . 2_665 ?
W1 O12 K4 89.6(3) . 2_666 ?
K1 O12 K4 80.3(2) . 2_666 ?
K1 O12 K4 137.3(3) 2_665 2_666 ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O11 K1 K3 O4 70.3(3) 2_655 . . 1_455 ?
O12 K1 K3 O4 -149.9(3) . . . 1_455 ?
O2 K1 K3 O4 -136.3(3) 1_565 . . 1_455 ?
O3 K1 K3 O4 -56.9(2) . . . 1_455 ?
O12 K1 K3 O4 123.1(3) 2_665 . . 1_455 ?
K1 K1 K3 O4 159.8(2) 2_665 . . 1_455 ?
W1 K1 K3 O4 9.0(2) 1_455 . . 1_455 ?
K4 K1 K3 O4 -101.5(2) 2_666 . . 1_455 ?
W1 K1 K3 O4 107.5(2) 2_665 . . 1_455 ?
W2 K1 K3 O4 95.1(2) 2_655 . . 1_455 ?
O11 K1 K3 O8 -44.7(3) 2_655 . . 2_665 ?
O12 K1 K3 O8 95.1(3) . . . 2_665 ?
O4 K1 K3 O8 -115.1(3) 1_455 . . 2_665 ?
O2 K1 K3 O8 108.7(2) 1_565 . . 2_665 ?
O3 K1 K3 O8 -171.9(2) . . . 2_665 ?
O12 K1 K3 O8 8.1(2) 2_665 . . 2_665 ?
K1 K1 K3 O8 44.74(17) 2_665 . . 2_665 ?
W1 K1 K3 O8 -106.10(15) 1_455 . . 2_665 ?
K4 K1 K3 O8 143.42(16) 2_666 . . 2_665 ?
W1 K1 K3 O8 -7.60(15) 2_665 . . 2_665 ?
W2 K1 K3 O8 -20.01(17) 2_655 . . 2_665 ?
O11 K1 K3 O6 157.4(3) 2_655 . . 2_666 ?
O12 K1 K3 O6 -62.8(3) . . . 2_666 ?
O4 K1 K3 O6 87.1(3) 1_455 . . 2_666 ?
O2 K1 K3 O6 -49.2(2) 1_565 . . 2_666 ?
O3 K1 K3 O6 30.2(2) . . . 2_666 ?
O12 K1 K3 O6 -149.8(2) 2_665 . . 2_666 ?
K1 K1 K3 O6 -113.15(17) 2_665 . . 2_666 ?
W1 K1 K3 O6 96.01(16) 1_455 . . 2_666 ?
K4 K1 K3 O6 -14.47(16) 2_666 . . 2_666 ?
W1 K1 K3 O6 -165.49(16) 2_665 . . 2_666 ?
W2 K1 K3 O6 -177.89(16) 2_655 . . 2_666 ?
O11 K1 K3 O2 -153.4(3) 2_655 . . 1_565 ?
O12 K1 K3 O2 -13.6(3) . . . 1_565 ?
O4 K1 K3 O2 136.3(3) 1_455 . . 1_565 ?
O3 K1 K3 O2 79.4(2) . . . 1_565 ?
O12 K1 K3 O2 -100.6(2) 2_665 . . 1_565 ?
K1 K1 K3 O2 -63.93(19) 2_665 . . 1_565 ?
W1 K1 K3 O2 145.23(19) 1_455 . . 1_565 ?
K4 K1 K3 O2 34.75(19) 2_666 . . 1_565 ?
W1 K1 K3 O2 -116.27(19) 2_665 . . 1_565 ?
W2 K1 K3 O2 -128.7(2) 2_655 . . 1_565 ?
O11 K1 K3 O9 -102.1(3) 2_655 . . 1_565 ?
O12 K1 K3 O9 37.7(3) . . . 1_565 ?
O4 K1 K3 O9 -172.4(3) 1_455 . . 1_565 ?
O2 K1 K3 O9 51.3(3) 1_565 . . 1_565 ?
O3 K1 K3 O9 130.7(3) . . . 1_565 ?
O12 K1 K3 O9 -49.3(3) 2_665 . . 1_565 ?
K1 K1 K3 O9 -12.6(2) 2_665 . . 1_565 ?
W1 K1 K3 O9 -163.5(2) 1_455 . . 1_565 ?
K4 K1 K3 O9 86.0(2) 2_666 . . 1_565 ?
W1 K1 K3 O9 -65.0(2) 2_665 . . 1_565 ?
W2 K1 K3 O9 -77.4(2) 2_655 . . 1_565 ?
O11 K1 K3 O5 82.9(3) 2_655 . . 1_465 ?
O12 K1 K3 O5 -137.3(3) . . . 1_465 ?
O4 K1 K3 O5 12.6(3) 1_455 . . 1_465 ?
O2 K1 K3 O5 -123.7(3) 1_565 . . 1_465 ?
O3 K1 K3 O5 -44.3(2) . . . 1_465 ?
O12 K1 K3 O5 135.7(2) 2_665 . . 1_465 ?
K1 K1 K3 O5 172.38(18) 2_665 . . 1_465 ?
W1 K1 K3 O5 21.54(17) 1_455 . . 1_465 ?
K4 K1 K3 O5 -88.93(18) 2_666 . . 1_465 ?
W1 K1 K3 O5 120.05(18) 2_665 . . 1_465 ?
W2 K1 K3 O5 107.64(18) 2_655 . . 1_465 ?
O11 K1 K3 O11 17.9(4) 2_655 . . 1_465 ?
O12 K1 K3 O11 157.7(3) . . . 1_465 ?
O4 K1 K3 O11 -52.4(3) 1_455 . . 1_465 ?
O2 K1 K3 O11 171.3(2) 1_565 . . 1_465 ?
O3 K1 K3 O11 -109.3(2) . . . 1_465 ?
O12 K1 K3 O11 70.7(2) 2_665 . . 1_465 ?
K1 K1 K3 O11 107.35(17) 2_665 . . 1_465 ?
W1 K1 K3 O11 -43.48(16) 1_455 . . 1_465 ?
K4 K1 K3 O11 -153.96(16) 2_666 . . 1_465 ?
W1 K1 K3 O11 55.02(16) 2_665 . . 1_465 ?
W2 K1 K3 O11 42.61(18) 2_655 . . 1_465 ?
O11 K1 K3 Mg1 125.7(3) 2_655 . . 2_666 ?
O12 K1 K3 Mg1 -94.5(2) . . . 2_666 ?
O4 K1 K3 Mg1 55.3(2) 1_455 . . 2_666 ?
O2 K1 K3 Mg1 -80.9(2) 1_565 . . 2_666 ?
O3 K1 K3 Mg1 -1.55(18) . . . 2_666 ?
O12 K1 K3 Mg1 178.46(19) 2_665 . . 2_666 ?
K1 K1 K3 Mg1 -144.87(11) 2_665 . . 2_666 ?
W1 K1 K3 Mg1 64.29(10) 1_455 . . 2_666 ?
K4 K1 K3 Mg1 -46.19(12) 2_666 . . 2_666 ?
W1 K1 K3 Mg1 162.80(11) 2_665 . . 2_666 ?
W2 K1 K3 Mg1 150.39(10) 2_655 . . 2_666 ?
O11 K1 K3 K2 -36.4(3) 2_655 . . 1_565 ?
O12 K1 K3 K2 103.4(2) . . . 1_565 ?
O4 K1 K3 K2 -106.7(2) 1_455 . . 1_565 ?
O2 K1 K3 K2 117.0(2) 1_565 . . 1_565 ?
O3 K1 K3 K2 -163.61(14) . . . 1_565 ?
O12 K1 K3 K2 16.40(17) 2_665 . . 1_565 ?
K1 K1 K3 K2 53.07(10) 2_665 . . 1_565 ?
W1 K1 K3 K2 -97.77(7) 1_455 . . 1_565 ?
K4 K1 K3 K2 151.76(7) 2_666 . . 1_565 ?
W1 K1 K3 K2 0.74(6) 2_665 . . 1_565 ?
W2 K1 K3 K2 -11.67(12) 2_655 . . 1_565 ?
O11 K1 K3 W2 48.6(3) 2_655 . . 1_465 ?
O12 K1 K3 W2 -171.6(2) . . . 1_465 ?
O4 K1 K3 W2 -21.8(2) 1_455 . . 1_465 ?
O2 K1 K3 W2 -158.0(2) 1_565 . . 1_465 ?
O3 K1 K3 W2 -78.65(15) . . . 1_465 ?
O12 K1 K3 W2 101.36(17) 2_665 . . 1_465 ?
K1 K1 K3 W2 138.04(8) 2_665 . . 1_465 ?
W1 K1 K3 W2 -12.80(7) 1_455 . . 1_465 ?
K4 K1 K3 W2 -123.28(8) 2_666 . . 1_465 ?
W1 K1 K3 W2 85.70(7) 2_665 . . 1_465 ?
W2 K1 K3 W2 73.29(11) 2_655 . . 1_465 ?
O11 K1 K3 W3 -143.6(3) 2_655 . . 1_565 ?
O12 K1 K3 W3 -3.8(3) . . . 1_565 ?
O4 K1 K3 W3 146.0(2) 1_455 . . 1_565 ?
O2 K1 K3 W3 9.7(2) 1_565 . . 1_565 ?
O3 K1 K3 W3 89.13(17) . . . 1_565 ?
O12 K1 K3 W3 -90.86(19) 2_665 . . 1_565 ?
K1 K1 K3 W3 -54.19(14) 2_665 . . 1_565 ?
W1 K1 K3 W3 154.97(11) 1_455 . . 1_565 ?
K4 K1 K3 W3 44.50(12) 2_666 . . 1_565 ?
W1 K1 K3 W3 -106.52(11) 2_665 . . 1_565 ?
W2 K1 K3 W3 -118.93(11) 2_655 . . 1_565 ?
O11 W2 K5 O8 -84.7(3) . . . . ?
O2 W2 K5 O8 165.6(2) . . . . ?
O5 W2 K5 O8 -8.9(5) . . . . ?
O1 W2 K5 O8 48.7(3) . . . . ?
Mg1 W2 K5 O8 57.28(15) . . . . ?
K4 W2 K5 O8 167.36(15) 2_656 . . . ?
K3 W2 K5 O8 -50.10(14) 1_645 . . . ?
K2 W2 K5 O8 -40.97(13) 1_655 . . . ?
K3 W2 K5 O8 147.56(14) 1_545 . . . ?
K1 W2 K5 O8 -109.83(14) 2_655 . . . ?
K1 W2 K5 O8 -162.62(14) 1_545 . . . ?
O11 W2 K5 O8 95.3(3) . . . 2_655 ?
O2 W2 K5 O8 -14.4(2) . . . 2_655 ?
O5 W2 K5 O8 171.1(5) . . . 2_655 ?
O1 W2 K5 O8 -131.3(3) . . . 2_655 ?
Mg1 W2 K5 O8 -122.72(15) . . . 2_655 ?
K4 W2 K5 O8 -12.64(15) 2_656 . . 2_655 ?
K3 W2 K5 O8 129.90(14) 1_645 . . 2_655 ?
K2 W2 K5 O8 139.03(13) 1_655 . . 2_655 ?
K3 W2 K5 O8 -32.44(14) 1_545 . . 2_655 ?
K1 W2 K5 O8 70.17(14) 2_655 . . 2_655 ?
K1 W2 K5 O8 17.38(14) 1_545 . . 2_655 ?
O11 W2 K5 O1 46.5(4) . . . 2_655 ?
O2 W2 K5 O1 -63.1(3) . . . 2_655 ?
O5 W2 K5 O1 122.4(5) . . . 2_655 ?
O1 W2 K5 O1 180.0 . . . 2_655 ?
Mg1 W2 K5 O1 -171.5(2) . . . 2_655 ?
K4 W2 K5 O1 -61.4(2) 2_656 . . 2_655 ?
K3 W2 K5 O1 81.2(2) 1_645 . . 2_655 ?
K2 W2 K5 O1 90.3(2) 1_655 . . 2_655 ?
K3 W2 K5 O1 -81.2(2) 1_545 . . 2_655 ?
K1 W2 K5 O1 21.4(2) 2_655 . . 2_655 ?
K1 W2 K5 O1 -31.4(2) 1_545 . . 2_655 ?
O11 W2 K5 O1 -133.5(4) . . . . ?
O2 W2 K5 O1 116.9(3) . . . . ?
O5 W2 K5 O1 -57.6(5) . . . . ?
Mg1 W2 K5 O1 8.5(2) . . . . ?
K4 W2 K5 O1 118.6(2) 2_656 . . . ?
K3 W2 K5 O1 -98.8(2) 1_645 . . . ?
K2 W2 K5 O1 -89.7(2) 1_655 . . . ?
K3 W2 K5 O1 98.8(2) 1_545 . . . ?
K1 W2 K5 O1 -158.6(2) 2_655 . . . ?
K1 W2 K5 O1 148.6(2) 1_545 . . . ?
O11 W2 K5 O9 167.0(3) . . . . ?
O2 W2 K5 O9 57.4(2) . . . . ?
O5 W2 K5 O9 -117.2(5) . . . . ?
O1 W2 K5 O9 -59.5(3) . . . . ?
Mg1 W2 K5 O9 -50.99(14) . . . . ?
K4 W2 K5 O9 59.09(14) 2_656 . . . ?
K3 W2 K5 O9 -158.37(13) 1_645 . . . ?
K2 W2 K5 O9 -149.25(12) 1_655 . . . ?
K3 W2 K5 O9 39.29(13) 1_545 . . . ?
K1 W2 K5 O9 141.90(13) 2_655 . . . ?
K1 W2 K5 O9 89.11(13) 1_545 . . . ?
O11 W2 K5 O9 -13.0(3) . . . 2_655 ?
O2 W2 K5 O9 -122.6(2) . . . 2_655 ?
O5 W2 K5 O9 62.8(5) . . . 2_655 ?
O1 W2 K5 O9 120.5(3) . . . 2_655 ?
Mg1 W2 K5 O9 129.01(14) . . . 2_655 ?
K4 W2 K5 O9 -120.91(14) 2_656 . . 2_655 ?
K3 W2 K5 O9 21.63(13) 1_645 . . 2_655 ?
K2 W2 K5 O9 30.75(12) 1_655 . . 2_655 ?
K3 W2 K5 O9 -140.71(13) 1_545 . . 2_655 ?
K1 W2 K5 O9 -38.10(13) 2_655 . . 2_655 ?
K1 W2 K5 O9 -90.89(13) 1_545 . . 2_655 ?
O11 W2 K5 O11 180.0 . . . 2_655 ?
O2 W2 K5 O11 70.4(3) . . . 2_655 ?
O5 W2 K5 O11 -104.1(5) . . . 2_655 ?
O1 W2 K5 O11 -46.5(4) . . . 2_655 ?
Mg1 W2 K5 O11 -38.0(3) . . . 2_655 ?
K4 W2 K5 O11 72.1(3) 2_656 . . 2_655 ?
K3 W2 K5 O11 -145.4(3) 1_645 . . 2_655 ?
K2 W2 K5 O11 -136.2(3) 1_655 . . 2_655 ?
K3 W2 K5 O11 52.3(3) 1_545 . . 2_655 ?
K1 W2 K5 O11 154.9(3) 2_655 . . 2_655 ?
K1 W2 K5 O11 102.1(3) 1_545 . . 2_655 ?
O2 W2 K5 O11 -109.6(3) . . . . ?
O5 W2 K5 O11 75.9(5) . . . . ?
O1 W2 K5 O11 133.5(4) . . . . ?
Mg1 W2 K5 O11 142.0(3) . . . . ?
K4 W2 K5 O11 -107.9(3) 2_656 . . . ?
K3 W2 K5 O11 34.6(3) 1_645 . . . ?
K2 W2 K5 O11 43.8(3) 1_655 . . . ?
K3 W2 K5 O11 -127.7(3) 1_545 . . . ?
K1 W2 K5 O11 -25.1(3) 2_655 . . . ?
K1 W2 K5 O11 -77.9(3) 1_545 . . . ?
O11 W2 K5 W2 80(100) . . . 2_655 ?
O2 W2 K5 W2 -30(100) . . . 2_655 ?
O5 W2 K5 W2 156(100) . . . 2_655 ?
O1 W2 K5 W2 -147(100) . . . 2_655 ?
Mg1 W2 K5 W2 -138(100) . . . 2_655 ?
K4 W2 K5 W2 -28(100) 2_656 . . 2_655 ?
K3 W2 K5 W2 114(100) 1_645 . . 2_655 ?
K2 W2 K5 W2 124(100) 1_655 . . 2_655 ?
K3 W2 K5 W2 -48(100) 1_545 . . 2_655 ?
K1 W2 K5 W2 55(100) 2_655 . . 2_655 ?
K1 W2 K5 W2 2(100) 1_545 . . 2_655 ?
O11 W2 K5 K2 136.2(3) . . . . ?
O2 W2 K5 K2 26.6(2) . . . . ?
O5 W2 K5 K2 -147.9(5) . . . . ?
O1 W2 K5 K2 -90.3(2) . . . . ?
Mg1 W2 K5 K2 -81.75(6) . . . . ?
K4 W2 K5 K2 28.34(6) 2_656 . . . ?
K3 W2 K5 K2 170.87(3) 1_645 . . . ?
K2 W2 K5 K2 180.0 1_655 . . . ?
K3 W2 K5 K2 8.53(3) 1_545 . . . ?
K1 W2 K5 K2 111.15(3) 2_655 . . . ?
K1 W2 K5 K2 58.36(3) 1_545 . . . ?
O11 W2 K5 K2 -43.8(3) . . . 1_655 ?
O2 W2 K5 K2 -153.4(2) . . . 1_655 ?
O5 W2 K5 K2 32.1(5) . . . 1_655 ?
O1 W2 K5 K2 89.7(2) . . . 1_655 ?
Mg1 W2 K5 K2 98.25(6) . . . 1_655 ?
K4 W2 K5 K2 -151.66(6) 2_656 . . 1_655 ?
K3 W2 K5 K2 -9.13(3) 1_645 . . 1_655 ?
K3 W2 K5 K2 -171.47(3) 1_545 . . 1_655 ?
K1 W2 K5 K2 -68.85(3) 2_655 . . 1_655 ?
K1 W2 K5 K2 -121.64(3) 1_545 . . 1_655 ?
O9 K2 K5 O8 110.3(3) 2 . . . ?
O9 K2 K5 O8 -69.7(3) . . . . ?
O11 K2 K5 O8 35.6(3) 2_655 . . . ?
O11 K2 K5 O8 -144.4(3) 1_455 . . . ?
O8 K2 K5 O8 0.0 1_455 . . . ?
O8 K2 K5 O8 180.0 2_655 . . . ?
K3 K2 K5 O8 54.56(19) 2_565 . . . ?
K3 K2 K5 O8 -125.44(19) 1_545 . . . ?
W2 K2 K5 O8 63.56(19) 2_655 . . . ?
W2 K2 K5 O8 -116.44(19) 1_455 . . . ?
K5 K2 K5 O8 -164.89(19) 1_455 . . . ?
O9 K2 K5 O8 -69.7(3) 2 . . 2_655 ?
O9 K2 K5 O8 110.3(3) . . . 2_655 ?
O11 K2 K5 O8 -144.4(3) 2_655 . . 2_655 ?
O11 K2 K5 O8 35.6(3) 1_455 . . 2_655 ?
O8 K2 K5 O8 180.0 1_455 . . 2_655 ?
K3 K2 K5 O8 -125.44(19) 2_565 . . 2_655 ?
K3 K2 K5 O8 54.56(19) 1_545 . . 2_655 ?
W2 K2 K5 O8 -116.44(19) 2_655 . . 2_655 ?
W2 K2 K5 O8 63.56(19) 1_455 . . 2_655 ?
K5 K2 K5 O8 15.11(19) 1_455 . . 2_655 ?
O9 K2 K5 O1 15.4(2) 2 . . 2_655 ?
O9 K2 K5 O1 -164.6(2) . . . 2_655 ?
O11 K2 K5 O1 -59.2(2) 2_655 . . 2_655 ?
O11 K2 K5 O1 120.8(2) 1_455 . . 2_655 ?
O8 K2 K5 O1 -94.9(2) 1_455 . . 2_655 ?
O8 K2 K5 O1 85.1(2) 2_655 . . 2_655 ?
K3 K2 K5 O1 -40.29(14) 2_565 . . 2_655 ?
K3 K2 K5 O1 139.71(14) 1_545 . . 2_655 ?
W2 K2 K5 O1 -31.29(13) 2_655 . . 2_655 ?
W2 K2 K5 O1 148.70(13) 1_455 . . 2_655 ?
K5 K2 K5 O1 100.26(13) 1_455 . . 2_655 ?
O9 K2 K5 O1 -164.6(2) 2 . . . ?
O9 K2 K5 O1 15.4(2) . . . . ?
O11 K2 K5 O1 120.8(2) 2_655 . . . ?
O11 K2 K5 O1 -59.2(2) 1_455 . . . ?
O8 K2 K5 O1 85.1(2) 1_455 . . . ?
O8 K2 K5 O1 -94.9(2) 2_655 . . . ?
K3 K2 K5 O1 139.71(14) 2_565 . . . ?
K3 K2 K5 O1 -40.29(14) 1_545 . . . ?
W2 K2 K5 O1 148.71(13) 2_655 . . . ?
W2 K2 K5 O1 -31.29(13) 1_455 . . . ?
K5 K2 K5 O1 -79.74(13) 1_455 . . . ?
O9 K2 K5 O9 180.0 2 . . . ?
O11 K2 K5 O9 105.4(3) 2_655 . . . ?
O11 K2 K5 O9 -74.6(3) 1_455 . . . ?
O8 K2 K5 O9 69.7(3) 1_455 . . . ?
O8 K2 K5 O9 -110.3(3) 2_655 . . . ?
K3 K2 K5 O9 124.31(18) 2_565 . . . ?
K3 K2 K5 O9 -55.69(18) 1_545 . . . ?
W2 K2 K5 O9 133.30(18) 2_655 . . . ?
W2 K2 K5 O9 -46.70(18) 1_455 . . . ?
K5 K2 K5 O9 -95.15(18) 1_455 . . . ?
O9 K2 K5 O9 0.0 2 . . 2_655 ?
O9 K2 K5 O9 180.0 . . . 2_655 ?
O11 K2 K5 O9 -74.6(3) 2_655 . . 2_655 ?
O11 K2 K5 O9 105.4(3) 1_455 . . 2_655 ?
O8 K2 K5 O9 -110.3(3) 1_455 . . 2_655 ?
O8 K2 K5 O9 69.7(3) 2_655 . . 2_655 ?
K3 K2 K5 O9 -55.69(18) 2_565 . . 2_655 ?
K3 K2 K5 O9 124.31(18) 1_545 . . 2_655 ?
W2 K2 K5 O9 -46.70(18) 2_655 . . 2_655 ?
W2 K2 K5 O9 133.30(18) 1_455 . . 2_655 ?
K5 K2 K5 O9 84.85(18) 1_455 . . 2_655 ?
O9 K2 K5 O11 74.6(3) 2 . . 2_655 ?
O9 K2 K5 O11 -105.4(3) . . . 2_655 ?
O11 K2 K5 O11 180.0 1_455 . . 2_655 ?
O8 K2 K5 O11 -35.6(3) 1_455 . . 2_655 ?
O8 K2 K5 O11 144.4(3) 2_655 . . 2_655 ?
K3 K2 K5 O11 18.94(18) 2_565 . . 2_655 ?
K3 K2 K5 O11 -161.06(18) 1_545 . . 2_655 ?
W2 K2 K5 O11 27.93(18) 2_655 . . 2_655 ?
W2 K2 K5 O11 -152.07(18) 1_455 . . 2_655 ?
K5 K2 K5 O11 159.49(18) 1_455 . . 2_655 ?
O9 K2 K5 O11 -105.4(3) 2 . . . ?
O9 K2 K5 O11 74.6(3) . . . . ?
O11 K2 K5 O11 180.0 2_655 . . . ?
O11 K2 K5 O11 0.0 1_455 . . . ?
O8 K2 K5 O11 144.4(3) 1_455 . . . ?
O8 K2 K5 O11 -35.6(3) 2_655 . . . ?
K3 K2 K5 O11 -161.06(18) 2_565 . . . ?
K3 K2 K5 O11 18.94(18) 1_545 . . . ?
W2 K2 K5 O11 -152.07(18) 2_655 . . . ?
W2 K2 K5 O11 27.93(18) 1_455 . . . ?
K5 K2 K5 O11 -20.51(18) 1_455 . . . ?
O9 K2 K5 W2 46.70(18) 2 . . 2_655 ?
O9 K2 K5 W2 -133.30(18) . . . 2_655 ?
O11 K2 K5 W2 -27.93(18) 2_655 . . 2_655 ?
O11 K2 K5 W2 152.07(18) 1_455 . . 2_655 ?
O8 K2 K5 W2 -63.56(19) 1_455 . . 2_655 ?
O8 K2 K5 W2 116.44(19) 2_655 . . 2_655 ?
K3 K2 K5 W2 -9.00(3) 2_565 . . 2_655 ?
K3 K2 K5 W2 171.00(3) 1_545 . . 2_655 ?
W2 K2 K5 W2 180.0 1_455 . . 2_655 ?
K5 K2 K5 W2 131.551(12) 1_455 . . 2_655 ?
O9 K2 K5 W2 -133.30(18) 2 . . . ?
O9 K2 K5 W2 46.70(18) . . . . ?
O11 K2 K5 W2 152.07(18) 2_655 . . . ?
O11 K2 K5 W2 -27.93(18) 1_455 . . . ?
O8 K2 K5 W2 116.44(19) 1_455 . . . ?
O8 K2 K5 W2 -63.56(19) 2_655 . . . ?
K3 K2 K5 W2 171.00(3) 2_565 . . . ?
K3 K2 K5 W2 -9.00(3) 1_545 . . . ?
W2 K2 K5 W2 180.0 2_655 . . . ?
W2 K2 K5 W2 0.0 1_455 . . . ?
K5 K2 K5 W2 -48.449(12) 1_455 . . . ?
O9 K2 K5 K2 -84.85(18) 2 . . 1_655 ?
O9 K2 K5 K2 95.15(18) . . . 1_655 ?
O11 K2 K5 K2 -159.49(18) 2_655 . . 1_655 ?
O11 K2 K5 K2 20.51(18) 1_455 . . 1_655 ?
O8 K2 K5 K2 164.89(19) 1_455 . . 1_655 ?
O8 K2 K5 K2 -15.11(19) 2_655 . . 1_655 ?
K3 K2 K5 K2 -140.55(3) 2_565 . . 1_655 ?
K3 K2 K5 K2 39.45(3) 1_545 . . 1_655 ?
W2 K2 K5 K2 -131.551(12) 2_655 . . 1_655 ?
W2 K2 K5 K2 48.449(12) 1_455 . . 1_655 ?
K5 K2 K5 K2 0.0 1_455 . . 1_655 ?
O11 W2 Mg1 O5 -116.4(4) . . . 2_756 ?
O2 W2 Mg1 O5 108.5(4) . . . 2_756 ?
O5 W2 Mg1 O5 -3.5(5) . . . 2_756 ?
O1 W2 Mg1 O5 -149.0(5) . . . 2_756 ?
K4 W2 Mg1 O5 50.0(3) 2_656 . . 2_756 ?
K5 W2 Mg1 O5 -162.1(3) . . . 2_756 ?
K3 W2 Mg1 O5 -45.1(3) 1_645 . . 2_756 ?
K2 W2 Mg1 O5 -101.9(3) 1_655 . . 2_756 ?
K3 W2 Mg1 O5 135.2(3) 1_545 . . 2_756 ?
K1 W2 Mg1 O5 -134.3(3) 2_655 . . 2_756 ?
K1 W2 Mg1 O5 117.6(3) 1_545 . . 2_756 ?
O11 W2 Mg1 O1 32.6(5) . . . . ?
O2 W2 Mg1 O1 -102.5(4) . . . . ?
O5 W2 Mg1 O1 145.5(4) . . . . ?
K4 W2 Mg1 O1 -161.0(4) 2_656 . . . ?
K5 W2 Mg1 O1 -13.1(4) . . . . ?
K3 W2 Mg1 O1 103.9(4) 1_645 . . . ?
K2 W2 Mg1 O1 47.1(4) 1_655 . . . ?
K3 W2 Mg1 O1 -75.8(4) 1_545 . . . ?
K1 W2 Mg1 O1 14.7(4) 2_655 . . . ?
K1 W2 Mg1 O1 -93.4(4) 1_545 . . . ?
O11 W2 Mg1 O6 115.5(4) . . . . ?
O2 W2 Mg1 O6 -19.5(3) . . . . ?
O5 W2 Mg1 O6 -131.6(3) . . . . ?
O1 W2 Mg1 O6 82.9(5) . . . . ?
K4 W2 Mg1 O6 -78.1(2) 2_656 . . . ?
K5 W2 Mg1 O6 69.8(2) . . . . ?
K3 W2 Mg1 O6 -173.1(2) 1_645 . . . ?
K2 W2 Mg1 O6 130.1(2) 1_655 . . . ?
K3 W2 Mg1 O6 7.1(2) 1_545 . . . ?
K1 W2 Mg1 O6 97.6(3) 2_655 . . . ?
K1 W2 Mg1 O6 -10.4(3) 1_545 . . . ?
O11 W2 Mg1 O7 7.1(4) . . . . ?
O2 W2 Mg1 O7 -128.0(3) . . . . ?
O5 W2 Mg1 O7 120.0(3) . . . . ?
O1 W2 Mg1 O7 -25.5(4) . . . . ?
K4 W2 Mg1 O7 173.5(3) 2_656 . . . ?
K5 W2 Mg1 O7 -38.7(3) . . . . ?
K3 W2 Mg1 O7 78.4(3) 1_645 . . . ?
K2 W2 Mg1 O7 21.6(3) 1_655 . . . ?
K3 W2 Mg1 O7 -101.3(3) 1_545 . . . ?
K1 W2 Mg1 O7 -10.8(4) 2_655 . . . ?
K1 W2 Mg1 O7 -118.9(3) 1_545 . . . ?
O11 W2 Mg1 O10 -171.2(4) . . . . ?
O2 W2 Mg1 O10 53.8(3) . . . . ?
O5 W2 Mg1 O10 -58.3(3) . . . . ?
O1 W2 Mg1 O10 156.2(5) . . . . ?
K4 W2 Mg1 O10 -4.8(2) 2_656 . . . ?
K5 W2 Mg1 O10 143.1(2) . . . . ?
K3 W2 Mg1 O10 -99.9(2) 1_645 . . . ?
K2 W2 Mg1 O10 -156.6(2) 1_655 . . . ?
K3 W2 Mg1 O10 80.4(2) 1_545 . . . ?
K1 W2 Mg1 O10 170.9(2) 2_655 . . . ?
K1 W2 Mg1 O10 62.8(3) 1_545 . . . ?
O11 W2 Mg1 K3 170.6(3) . . . 2_666 ?
O2 W2 Mg1 K3 35.6(3) . . . 2_666 ?
O5 W2 Mg1 K3 -76.5(3) . . . 2_666 ?
O1 W2 Mg1 K3 138.0(4) . . . 2_666 ?
K4 W2 Mg1 K3 -23.00(19) 2_656 . . 2_666 ?
K5 W2 Mg1 K3 124.90(17) . . . 2_666 ?
K3 W2 Mg1 K3 -118.05(15) 1_645 . . 2_666 ?
K2 W2 Mg1 K3 -174.82(16) 1_655 . . 2_666 ?
K3 W2 Mg1 K3 62.23(17) 1_545 . . 2_666 ?
K1 W2 Mg1 K3 152.71(9) 2_655 . . 2_666 ?
K1 W2 Mg1 K3 44.6(2) 1_545 . . 2_666 ?
O11 W2 Mg1 K4 -46.6(3) . . . 1_655 ?
O2 W2 Mg1 K4 178.4(2) . . . 1_655 ?
O5 W2 Mg1 K4 66.3(2) . . . 1_655 ?
O1 W2 Mg1 K4 -79.2(4) . . . 1_655 ?
K4 W2 Mg1 K4 119.77(11) 2_656 . . 1_655 ?
K5 W2 Mg1 K4 -92.33(12) . . . 1_655 ?
K3 W2 Mg1 K4 24.72(15) 1_645 . . 1_655 ?
K2 W2 Mg1 K4 -32.05(13) 1_655 . . 1_655 ?
K3 W2 Mg1 K4 -155.00(13) 1_545 . . 1_655 ?
K1 W2 Mg1 K4 -64.5(2) 2_655 . . 1_655 ?
K1 W2 Mg1 K4 -172.58(8) 1_545 . . 1_655 ?
O11 W2 Mg1 K4 48.7(4) . . . 2_666 ?
O2 W2 Mg1 K4 -86.4(3) . . . 2_666 ?
O5 W2 Mg1 K4 161.5(3) . . . 2_666 ?
O1 W2 Mg1 K4 16.0(4) . . . 2_666 ?
K4 W2 Mg1 K4 -144.98(18) 2_656 . . 2_666 ?
K5 W2 Mg1 K4 2.91(18) . . . 2_666 ?
K3 W2 Mg1 K4 119.96(19) 1_645 . . 2_666 ?
K2 W2 Mg1 K4 63.2(2) 1_655 . . 2_666 ?
K3 W2 Mg1 K4 -59.8(2) 1_545 . . 2_666 ?
K1 W2 Mg1 K4 30.7(3) 2_655 . . 2_666 ?
K1 W2 Mg1 K4 -77.3(2) 1_545 . . 2_666 ?
O11 W2 O1 Mg1 -154.3(4) . . . . ?
O2 W2 O1 Mg1 88.7(4) . . . . ?
O5 W2 O1 Mg1 -39.2(5) . . . . ?
K4 W2 O1 Mg1 27.2(5) 2_656 . . . ?
K5 W2 O1 Mg1 162.9(5) . . . . ?
K3 W2 O1 Mg1 -88.9(4) 1_645 . . . ?
K2 W2 O1 Mg1 -129.3(4) 1_655 . . . ?
K3 W2 O1 Mg1 99.6(3) 1_545 . . . ?
K1 W2 O1 Mg1 -171.9(2) 2_655 . . . ?
K1 W2 O1 Mg1 117.7(3) 1_545 . . . ?
O11 W2 O1 K5 42.9(3) . . . . ?
O2 W2 O1 K5 -74.2(3) . . . . ?
O5 W2 O1 K5 158.0(2) . . . . ?
Mg1 W2 O1 K5 -162.9(5) . . . . ?
K4 W2 O1 K5 -135.64(16) 2_656 . . . ?
K3 W2 O1 K5 108.22(16) 1_645 . . . ?
K2 W2 O1 K5 67.80(15) 1_655 . . . ?
K3 W2 O1 K5 -63.22(15) 1_545 . . . ?
K1 W2 O1 K5 25.3(3) 2_655 . . . ?
K1 W2 O1 K5 -45.2(3) 1_545 . . . ?
O5 Mg1 O1 W2 54.8(8) 2_756 . . . ?
O6 Mg1 O1 W2 -107.5(4) . . . . ?
O7 Mg1 O1 W2 157.5(4) . . . . ?
O10 Mg1 O1 W2 -20.1(4) . . . . ?
K3 Mg1 O1 W2 -73.2(6) 2_666 . . . ?
K4 Mg1 O1 W2 119.7(3) 1_655 . . . ?
K4 Mg1 O1 W2 -170.1(2) 2_666 . . . ?
O5 Mg1 O1 K5 -147.1(5) 2_756 . . . ?
O6 Mg1 O1 K5 50.6(4) . . . . ?
O7 Mg1 O1 K5 -44.4(4) . . . . ?
O10 Mg1 O1 K5 138.0(4) . . . . ?
W2 Mg1 O1 K5 158.1(6) . . . . ?
K3 Mg1 O1 K5 84.9(5) 2_666 . . . ?
K4 Mg1 O1 K5 -82.2(4) 1_655 . . . ?
K4 Mg1 O1 K5 -12.0(4) 2_666 . . . ?
O8 K5 O1 W2 -126.7(3) . . . . ?
O8 K5 O1 W2 53.3(3) 2_655 . . . ?
O1 K5 O1 W2 29(100) 2_655 . . . ?
O9 K5 O1 W2 115.6(3) . . . . ?
O9 K5 O1 W2 -64.4(3) 2_655 . . . ?
O11 K5 O1 W2 154.1(2) 2_655 . . . ?
O11 K5 O1 W2 -25.9(2) . . . . ?
W2 K5 O1 W2 180.0 2_655 . . . ?
K2 K5 O1 W2 104.3(2) . . . . ?
K2 K5 O1 W2 -75.7(2) 1_655 . . . ?
O8 K5 O1 Mg1 71.7(4) . . . . ?
O8 K5 O1 Mg1 -108.3(4) 2_655 . . . ?
O1 K5 O1 Mg1 -132(100) 2_655 . . . ?
O9 K5 O1 Mg1 -45.9(3) . . . . ?
O9 K5 O1 Mg1 134.1(3) 2_655 . . . ?
O11 K5 O1 Mg1 -7.4(5) 2_655 . . . ?
O11 K5 O1 Mg1 172.6(5) . . . . ?
W2 K5 O1 Mg1 18.5(5) 2_655 . . . ?
W2 K5 O1 Mg1 -161.5(5) . . . . ?
K2 K5 O1 Mg1 -57.2(4) . . . . ?
K2 K5 O1 Mg1 122.8(4) 1_655 . . . ?
O11 W2 O2 K1 24.9(5) . . . 1_545 ?
O5 W2 O2 K1 -91.3(4) . . . 1_545 ?
O1 W2 O2 K1 137.5(3) . . . 1_545 ?
Mg1 W2 O2 K1 168.8(3) . . . 1_545 ?
K4 W2 O2 K1 -87.8(4) 2_656 . . 1_545 ?
K5 W2 O2 K1 91.1(3) . . . 1_545 ?
K3 W2 O2 K1 -45.4(5) 1_645 . . 1_545 ?
K2 W2 O2 K1 48.8(6) 1_655 . . 1_545 ?
K3 W2 O2 K1 119.0(5) 1_545 . . 1_545 ?
K1 W2 O2 K1 13.4(3) 2_655 . . 1_545 ?
O11 W2 O2 K3 -94.1(4) . . . 1_545 ?
O5 W2 O2 K3 149.7(3) . . . 1_545 ?
O1 W2 O2 K3 18.5(4) . . . 1_545 ?
Mg1 W2 O2 K3 49.7(3) . . . 1_545 ?
K4 W2 O2 K3 153.1(4) 2_656 . . 1_545 ?
K5 W2 O2 K3 -28.0(3) . . . 1_545 ?
K3 W2 O2 K3 -164.41(14) 1_645 . . 1_545 ?
K2 W2 O2 K3 -70.2(5) 1_655 . . 1_545 ?
K1 W2 O2 K3 -105.6(3) 2_655 . . 1_545 ?
K1 W2 O2 K3 -119.0(5) 1_545 . . 1_545 ?
O11 W2 O2 K4 112.7(3) . . . 2_656 ?
O5 W2 O2 K4 -3.4(3) . . . 2_656 ?
O1 W2 O2 K4 -134.6(2) . . . 2_656 ?
Mg1 W2 O2 K4 -103.40(16) . . . 2_656 ?
K5 W2 O2 K4 178.88(13) . . . 2_656 ?
K3 W2 O2 K4 42.4(3) 1_645 . . 2_656 ?
K2 W2 O2 K4 136.6(2) 1_655 . . 2_656 ?
K3 W2 O2 K4 -153.1(4) 1_545 . . 2_656 ?
K1 W2 O2 K4 101.27(15) 2_655 . . 2_656 ?
K1 W2 O2 K4 87.8(4) 1_545 . . 2_656 ?
O9 W3 O3 K4 140.9(3) . . . . ?
O6 W3 O3 K4 -100.8(3) . . . . ?
O10 W3 O3 K4 23.0(4) 2_656 . . . ?
K3 W3 O3 K4 123.8(3) 1_545 . . . ?
K4 W3 O3 K4 -106.4(4) 2_666 . . . ?
K1 W3 O3 K4 147.0(5) . . . . ?
K2 W3 O3 K4 113.4(3) . . . . ?
K3 W3 O3 K4 -69.4(3) 2_666 . . . ?
O9 W3 O3 K4 -112.7(3) . . . 2_666 ?
O6 W3 O3 K4 5.7(4) . . . 2_666 ?
O10 W3 O3 K4 129.4(3) 2_656 . . 2_666 ?
K3 W3 O3 K4 -129.8(3) 1_545 . . 2_666 ?
K4 W3 O3 K4 106.4(4) . . . 2_666 ?
K1 W3 O3 K4 -106.6(4) . . . 2_666 ?
K2 W3 O3 K4 -140.1(2) . . . 2_666 ?
K3 W3 O3 K4 37.1(3) 2_666 . . 2_666 ?
O9 W3 O3 K1 -6.1(4) . . . . ?
O6 W3 O3 K1 112.3(3) . . . . ?
O10 W3 O3 K1 -124.0(3) 2_656 . . . ?
K3 W3 O3 K1 -23.1(6) 1_545 . . . ?
K4 W3 O3 K1 106.6(4) 2_666 . . . ?
K4 W3 O3 K1 -147.0(5) . . . . ?
K2 W3 O3 K1 -33.5(3) . . . . ?
K3 W3 O3 K1 143.7(3) 2_666 . . . ?
O3 K4 O3 W3 119.7(4) 2_666 . . . ?
O7 K4 O3 W3 -73.0(3) 1_455 . . . ?
O7 K4 O3 W3 -165.6(6) 2_666 . . . ?
O2 K4 O3 W3 38.5(3) 2_656 . . . ?
O5 K4 O3 W3 -15.4(3) 2_656 . . . ?
O4 K4 O3 W3 -129.2(4) 1_455 . . . ?
O12 K4 O3 W3 51.3(5) 2_666 . . . ?
W1 K4 O3 W3 -100.2(3) 1_455 . . . ?
W2 K4 O3 W3 11.7(3) 2_656 . . . ?
W1 K4 O3 W3 37.3(9) 2_666 . . . ?
W3 K4 O3 W3 140.0(3) 2_666 . . . ?
O3 K4 O3 K4 0.0 2_666 . . 2_666 ?
O7 K4 O3 K4 167.3(2) 1_455 . . 2_666 ?
O7 K4 O3 K4 74.7(8) 2_666 . . 2_666 ?
O2 K4 O3 K4 -81.20(18) 2_656 . . 2_666 ?
O5 K4 O3 K4 -135.05(19) 2_656 . . 2_666 ?
O4 K4 O3 K4 111.1(2) 1_455 . . 2_666 ?
O12 K4 O3 K4 -68.4(3) 2_666 . . 2_666 ?
W1 K4 O3 K4 140.14(18) 1_455 . . 2_666 ?
W2 K4 O3 K4 -107.99(15) 2_656 . . 2_666 ?
W1 K4 O3 K4 -82.4(6) 2_666 . . 2_666 ?
W3 K4 O3 K4 20.28(16) 2_666 . . 2_666 ?
O3 K4 O3 K1 -88.2(2) 2_666 . . . ?
O7 K4 O3 K1 79.0(2) 1_455 . . . ?
O7 K4 O3 K1 -13.6(9) 2_666 . . . ?
O2 K4 O3 K1 -169.4(2) 2_656 . . . ?
O5 K4 O3 K1 136.7(2) 2_656 . . . ?
O4 K4 O3 K1 22.84(19) 1_455 . . . ?
O12 K4 O3 K1 -156.7(2) 2_666 . . . ?
W1 K4 O3 K1 51.93(16) 1_455 . . . ?
W2 K4 O3 K1 163.79(19) 2_656 . . . ?
W1 K4 O3 K1 -170.7(5) 2_666 . . . ?
W3 K4 O3 K1 -67.9(2) 2_666 . . . ?
O11 K1 O3 W3 13.5(4) 2_655 . . . ?
O12 K1 O3 W3 -75.7(4) . . . . ?
O4 K1 O3 W3 124.8(4) 1_455 . . . ?
O2 K1 O3 W3 -154.6(3) 1_565 . . . ?
O12 K1 O3 W3 161(2) 2_665 . . . ?
K1 K1 O3 W3 -81.3(4) 2_665 . . . ?
W1 K1 O3 W3 100.5(3) 1_455 . . . ?
K3 K1 O3 W3 160.6(3) . . . . ?
K4 K1 O3 W3 -119.8(4) 2_666 . . . ?
W1 K1 O3 W3 129.1(3) 2_665 . . . ?
W2 K1 O3 W3 4.1(4) 2_655 . . . ?
O11 K1 O3 K4 -137.4(2) 2_655 . . . ?
O12 K1 O3 K4 133.4(3) . . . . ?
O4 K1 O3 K4 -26.1(2) 1_455 . . . ?
O2 K1 O3 K4 54.5(2) 1_565 . . . ?
O12 K1 O3 K4 10(2) 2_665 . . . ?
K1 K1 O3 K4 127.80(19) 2_665 . . . ?
W1 K1 O3 K4 -50.45(16) 1_455 . . . ?
K3 K1 O3 K4 9.7(2) . . . . ?
K4 K1 O3 K4 89.3(2) 2_666 . . . ?
W1 K1 O3 K4 -21.8(5) 2_665 . . . ?
W2 K1 O3 K4 -146.79(14) 2_655 . . . ?
O11 K1 O3 K4 133.3(2) 2_655 . . 2_666 ?
O12 K1 O3 K4 44.0(2) . . . 2_666 ?
O4 K1 O3 K4 -115.4(2) 1_455 . . 2_666 ?
O2 K1 O3 K4 -34.82(18) 1_565 . . 2_666 ?
O12 K1 O3 K4 -80(2) 2_665 . . 2_666 ?
K1 K1 O3 K4 38.5(3) 2_665 . . 2_666 ?
W1 K1 O3 K4 -139.79(16) 1_455 . . 2_666 ?
K3 K1 O3 K4 -79.63(14) . . . 2_666 ?
W1 K1 O3 K4 -111.1(3) 2_665 . . 2_666 ?
W2 K1 O3 K4 123.87(13) 2_655 . . 2_666 ?
O12 W1 O4 K3 10.5(6) . . . 1_655 ?
O8 W1 O4 K3 131.0(5) . . . 1_655 ?
O7 W1 O4 K3 -106.3(5) . . . 1_655 ?
K4 W1 O4 K3 -106.0(5) 1_655 . . 1_655 ?
K4 W1 O4 K3 -53.0(5) 2_666 . . 1_655 ?
K1 W1 O4 K3 147.2(7) 1_655 . . 1_655 ?
K5 W1 O4 K3 128.3(4) . . . 1_655 ?
K3 W1 O4 K3 99.1(5) 2_665 . . 1_655 ?
K1 W1 O4 K3 42.4(5) 2_665 . . 1_655 ?
O12 W1 O4 K1 -136.7(4) . . . 1_655 ?
O8 W1 O4 K1 -16.2(4) . . . 1_655 ?
O7 W1 O4 K1 106.5(4) . . . 1_655 ?
K4 W1 O4 K1 106.9(4) 1_655 . . 1_655 ?
K4 W1 O4 K1 159.8(3) 2_666 . . 1_655 ?
K5 W1 O4 K1 -18.9(7) . . . 1_655 ?
K3 W1 O4 K1 -48.0(3) 2_665 . . 1_655 ?
K1 W1 O4 K1 -104.8(3) 2_665 . . 1_655 ?
K3 W1 O4 K1 -147.2(7) 1_655 . . 1_655 ?
O12 W1 O4 K4 116.4(3) . . . 1_655 ?
O8 W1 O4 K4 -123.1(3) . . . 1_655 ?
O7 W1 O4 K4 -0.3(3) . . . 1_655 ?
K4 W1 O4 K4 52.95(17) 2_666 . . 1_655 ?
K1 W1 O4 K4 -106.9(4) 1_655 . . 1_655 ?
K5 W1 O4 K4 -125.8(3) . . . 1_655 ?
K3 W1 O4 K4 -154.89(13) 2_665 . . 1_655 ?
K1 W1 O4 K4 148.34(15) 2_665 . . 1_655 ?
K3 W1 O4 K4 106.0(5) 1_655 . . 1_655 ?
O11 W2 O5 Mg1 134.6(5) . . . 2_756 ?
O2 W2 O5 Mg1 -107.2(5) . . . 2_756 ?
O1 W2 O5 Mg1 21.8(6) . . . 2_756 ?
Mg1 W2 O5 Mg1 3.7(5) . . . 2_756 ?
K4 W2 O5 Mg1 -110.7(5) 2_656 . . 2_756 ?
K5 W2 O5 Mg1 66.9(7) . . . 2_756 ?
K3 W2 O5 Mg1 121.8(6) 1_645 . . 2_756 ?
K2 W2 O5 Mg1 95.0(5) 1_655 . . 2_756 ?
K3 W2 O5 Mg1 -80.7(6) 1_545 . . 2_756 ?
K1 W2 O5 Mg1 162.1(4) 2_655 . . 2_756 ?
K1 W2 O5 Mg1 -140.7(4) 1_545 . . 2_756 ?
O11 W2 O5 K3 12.9(4) . . . 1_645 ?
O2 W2 O5 K3 131.0(3) . . . 1_645 ?
O1 W2 O5 K3 -100.0(3) . . . 1_645 ?
Mg1 W2 O5 K3 -118.1(2) . . . 1_645 ?
K4 W2 O5 K3 127.6(3) 2_656 . . 1_645 ?
K5 W2 O5 K3 -54.8(6) . . . 1_645 ?
K2 W2 O5 K3 -26.7(2) 1_655 . . 1_645 ?
K3 W2 O5 K3 157.54(12) 1_545 . . 1_645 ?
K1 W2 O5 K3 40.4(3) 2_655 . . 1_645 ?
K1 W2 O5 K3 97.6(2) 1_545 . . 1_645 ?
O11 W2 O5 K4 -114.7(3) . . . 2_656 ?
O2 W2 O5 K4 3.4(3) . . . 2_656 ?
O1 W2 O5 K4 132.4(2) . . . 2_656 ?
Mg1 W2 O5 K4 114.32(15) . . . 2_656 ?
K5 W2 O5 K4 177.6(3) . . . 2_656 ?
K3 W2 O5 K4 -127.6(3) 1_645 . . 2_656 ?
K2 W2 O5 K4 -154.31(11) 1_655 . . 2_656 ?
K3 W2 O5 K4 30.0(4) 1_545 . . 2_656 ?
K1 W2 O5 K4 -87.22(15) 2_655 . . 2_656 ?
K1 W2 O5 K4 -30.00(19) 1_545 . . 2_656 ?
O3 W3 O6 Mg1 -94.7(6) . . . . ?
O9 W3 O6 Mg1 22.8(6) . . . . ?
O10 W3 O6 Mg1 144.2(5) 2_656 . . . ?
K3 W3 O6 Mg1 63.6(5) 1_545 . . . ?
K4 W3 O6 Mg1 -90.8(5) 2_666 . . . ?
K4 W3 O6 Mg1 -133.2(5) . . . . ?
K1 W3 O6 Mg1 -58.6(6) . . . . ?
K2 W3 O6 Mg1 22.4(8) . . . . ?
K3 W3 O6 Mg1 -168.7(9) 2_666 . . . ?
O3 W3 O6 K3 73.9(4) . . . 2_666 ?
O9 W3 O6 K3 -168.6(4) . . . 2_666 ?
O10 W3 O6 K3 -47.1(5) 2_656 . . 2_666 ?
K3 W3 O6 K3 -127.7(3) 1_545 . . 2_666 ?
K4 W3 O6 K3 77.9(3) 2_666 . . 2_666 ?
K4 W3 O6 K3 35.5(4) . . . 2_666 ?
K1 W3 O6 K3 110.0(3) . . . 2_666 ?
K2 W3 O6 K3 -168.92(11) . . . 2_666 ?
O5 Mg1 O6 W3 157.9(5) 2_756 . . . ?
O1 Mg1 O6 W3 -30.3(6) . . . . ?
O7 Mg1 O6 W3 64.7(6) . . . . ?
O10 Mg1 O6 W3 -112.0(6) . . . . ?
W2 Mg1 O6 W3 -58.0(6) . . . . ?
K3 Mg1 O6 W3 170.9(7) 2_666 . . . ?
K4 Mg1 O6 W3 107.7(5) 1_655 . . . ?
K4 Mg1 O6 W3 87.1(5) 2_666 . . . ?
O5 Mg1 O6 K3 -13.0(3) 2_756 . . 2_666 ?
O1 Mg1 O6 K3 158.8(2) . . . 2_666 ?
O7 Mg1 O6 K3 -106.2(3) . . . 2_666 ?
O10 Mg1 O6 K3 77.1(3) . . . 2_666 ?
W2 Mg1 O6 K3 131.10(17) . . . 2_666 ?
K4 Mg1 O6 K3 -63.2(2) 1_655 . . 2_666 ?
K4 Mg1 O6 K3 -83.8(2) 2_666 . . 2_666 ?
O4 W1 O7 Mg1 -131.0(6) . . . . ?
O12 W1 O7 Mg1 113.2(6) . . . . ?
O8 W1 O7 Mg1 -9.4(7) . . . . ?
K4 W1 O7 Mg1 -131.3(7) 1_655 . . . ?
K4 W1 O7 Mg1 143.1(7) 2_666 . . . ?
K1 W1 O7 Mg1 -92.5(6) 1_655 . . . ?
K5 W1 O7 Mg1 26.6(6) . . . . ?
K3 W1 O7 Mg1 -1.8(9) 2_665 . . . ?
K1 W1 O7 Mg1 120.1(5) 2_665 . . . ?
K3 W1 O7 Mg1 -156.3(5) 1_655 . . . ?
O4 W1 O7 K4 0.3(3) . . . 1_655 ?
O12 W1 O7 K4 -115.4(3) . . . 1_655 ?
O8 W1 O7 K4 122.0(3) . . . 1_655 ?
K4 W1 O7 K4 -85.5(3) 2_666 . . 1_655 ?
K1 W1 O7 K4 38.8(3) 1_655 . . 1_655 ?
K5 W1 O7 K4 157.93(19) . . . 1_655 ?
K3 W1 O7 K4 129.5(3) 2_665 . . 1_655 ?
K1 W1 O7 K4 -108.5(3) 2_665 . . 1_655 ?
K3 W1 O7 K4 -25.0(3) 1_655 . . 1_655 ?
O4 W1 O7 K4 85.9(3) . . . 2_666 ?
O12 W1 O7 K4 -29.9(4) . . . 2_666 ?
O8 W1 O7 K4 -152.5(3) . . . 2_666 ?
K4 W1 O7 K4 85.5(3) 1_655 . . 2_666 ?
K1 W1 O7 K4 124.35(14) 1_655 . . 2_666 ?
K5 W1 O7 K4 -116.53(18) . . . 2_666 ?
K3 W1 O7 K4 -144.9(2) 2_665 . . 2_666 ?
K1 W1 O7 K4 -23.0(5) 2_665 . . 2_666 ?
K3 W1 O7 K4 60.6(2) 1_655 . . 2_666 ?
O5 Mg1 O7 W1 150.2(6) 2_756 . . . ?
O1 Mg1 O7 W1 -2.8(7) . . . . ?
O6 Mg1 O7 W1 -112.0(6) . . . . ?
O10 Mg1 O7 W1 26(5) . . . . ?
W2 Mg1 O7 W1 8.2(7) . . . . ?
K3 Mg1 O7 W1 -160.1(5) 2_666 . . . ?
K4 Mg1 O7 W1 130.6(7) 1_655 . . . ?
K4 Mg1 O7 W1 -140.5(8) 2_666 . . . ?
O5 Mg1 O7 K4 19.6(3) 2_756 . . 1_655 ?
O1 Mg1 O7 K4 -133.4(3) . . . 1_655 ?
O6 Mg1 O7 K4 117.4(3) . . . 1_655 ?
O10 Mg1 O7 K4 -105(4) . . . 1_655 ?
W2 Mg1 O7 K4 -122.4(2) . . . 1_655 ?
K3 Mg1 O7 K4 69.3(2) 2_666 . . 1_655 ?
K4 Mg1 O7 K4 88.9(3) 2_666 . . 1_655 ?
O5 Mg1 O7 K4 -69.3(3) 2_756 . . 2_666 ?
O1 Mg1 O7 K4 137.7(3) . . . 2_666 ?
O6 Mg1 O7 K4 28.5(3) . . . 2_666 ?
O10 Mg1 O7 K4 166(4) . . . 2_666 ?
W2 Mg1 O7 K4 148.77(18) . . . 2_666 ?
K3 Mg1 O7 K4 -19.6(3) 2_666 . . 2_666 ?
K4 Mg1 O7 K4 -88.9(3) 1_655 . . 2_666 ?
O4 W1 O8 K3 -67.9(4) . . . 2_665 ?
O12 W1 O8 K3 50.8(5) . . . 2_665 ?
O7 W1 O8 K3 172.7(3) . . . 2_665 ?
K4 W1 O8 K3 -131.0(2) 1_655 . . 2_665 ?
K4 W1 O8 K3 120.6(4) 2_666 . . 2_665 ?
K1 W1 O8 K3 -77.8(3) 1_655 . . 2_665 ?
K5 W1 O8 K3 110.2(5) . . . 2_665 ?
K1 W1 O8 K3 17.7(3) 2_665 . . 2_665 ?
K3 W1 O8 K3 -45.5(4) 1_655 . . 2_665 ?
O4 W1 O8 K5 -178.1(3) . . . . ?
O12 W1 O8 K5 -59.3(4) . . . . ?
O7 W1 O8 K5 62.5(4) . . . . ?
K4 W1 O8 K5 118.8(2) 1_655 . . . ?
K4 W1 O8 K5 10.4(7) 2_666 . . . ?
K1 W1 O8 K5 172.0(3) 1_655 . . . ?
K3 W1 O8 K5 -110.2(5) 2_665 . . . ?
K1 W1 O8 K5 -92.5(3) 2_665 . . . ?
K3 W1 O8 K5 -155.67(14) 1_655 . . . ?
O4 W1 O8 K2 64.9(6) . . . 1_655 ?
O12 W1 O8 K2 -176.3(5) . . . 1_655 ?
O7 W1 O8 K2 -54.5(6) . . . 1_655 ?
K4 W1 O8 K2 1.8(7) 1_655 . . 1_655 ?
K4 W1 O8 K2 -106.6(5) 2_666 . . 1_655 ?
K1 W1 O8 K2 55.0(5) 1_655 . . 1_655 ?
K5 W1 O8 K2 -117.0(7) . . . 1_655 ?
K3 W1 O8 K2 132.8(8) 2_665 . . 1_655 ?
K1 W1 O8 K2 150.5(5) 2_665 . . 1_655 ?
K3 W1 O8 K2 87.3(6) 1_655 . . 1_655 ?
O8 K5 O8 W1 -125(100) 2_655 . . . ?
O1 K5 O8 W1 107.4(3) 2_655 . . . ?
O1 K5 O8 W1 -72.6(3) . . . . ?
O9 K5 O8 W1 -10.0(4) . . . . ?
O9 K5 O8 W1 170.0(4) 2_655 . . . ?
O11 K5 O8 W1 57.5(3) 2_655 . . . ?
O11 K5 O8 W1 -122.5(3) . . . . ?
W2 K5 O8 W1 85.3(3) 2_655 . . . ?
W2 K5 O8 W1 -94.7(3) . . . . ?
K2 K5 O8 W1 33.7(4) . . . . ?
K2 K5 O8 W1 -146.3(4) 1_655 . . . ?
O8 K5 O8 K3 106(100) 2_655 . . 2_665 ?
O1 K5 O8 K3 -21.6(2) 2_655 . . 2_665 ?
O1 K5 O8 K3 158.4(2) . . . 2_665 ?
O9 K5 O8 K3 -139.05(17) . . . 2_665 ?
O9 K5 O8 K3 40.95(17) 2_655 . . 2_665 ?
O11 K5 O8 K3 -71.5(2) 2_655 . . 2_665 ?
O11 K5 O8 K3 108.5(2) . . . 2_665 ?
W2 K5 O8 K3 -43.69(15) 2_655 . . 2_665 ?
W2 K5 O8 K3 136.31(15) . . . 2_665 ?
K2 K5 O8 K3 -95.33(18) . . . 2_665 ?
K2 K5 O8 K3 84.67(18) 1_655 . . 2_665 ?
O8 K5 O8 K2 22(100) 2_655 . . 1_655 ?
O1 K5 O8 K2 -106.26(17) 2_655 . . 1_655 ?
O1 K5 O8 K2 73.74(17) . . . 1_655 ?
O9 K5 O8 K2 136.28(16) . . . 1_655 ?
O9 K5 O8 K2 -43.72(16) 2_655 . . 1_655 ?
O11 K5 O8 K2 -156.21(17) 2_655 . . 1_655 ?
O11 K5 O8 K2 23.79(17) . . . 1_655 ?
W2 K5 O8 K2 -128.36(13) 2_655 . . 1_655 ?
W2 K5 O8 K2 51.64(13) . . . 1_655 ?
K2 K5 O8 K2 180.0 . . . 1_655 ?
O3 W3 O9 K2 -62.3(4) . . . . ?
O6 W3 O9 K2 -179.6(4) . . . . ?
O10 W3 O9 K2 56.1(5) 2_656 . . . ?
K3 W3 O9 K2 104.4(5) 1_545 . . . ?
K4 W3 O9 K2 -105.4(3) 2_666 . . . ?
K4 W3 O9 K2 -31.3(5) . . . . ?
K1 W3 O9 K2 -65.9(3) . . . . ?
K3 W3 O9 K2 170.62(11) 2_666 . . . ?
O3 W3 O9 K3 -166.7(3) . . . 1_545 ?
O6 W3 O9 K3 76.0(3) . . . 1_545 ?
O10 W3 O9 K3 -48.4(4) 2_656 . . 1_545 ?
K4 W3 O9 K3 150.19(15) 2_666 . . 1_545 ?
K4 W3 O9 K3 -135.74(17) . . . 1_545 ?
K1 W3 O9 K3 -170.3(3) . . . 1_545 ?
K2 W3 O9 K3 -104.4(5) . . . 1_545 ?
K3 W3 O9 K3 66.2(4) 2_666 . . 1_545 ?
O3 W3 O9 K5 79.0(5) . . . . ?
O6 W3 O9 K5 -38.3(6) . . . . ?
O10 W3 O9 K5 -162.7(5) 2_656 . . . ?
K3 W3 O9 K5 -114.3(6) 1_545 . . . ?
K4 W3 O9 K5 35.9(5) 2_666 . . . ?
K4 W3 O9 K5 110.0(4) . . . . ?
K1 W3 O9 K5 75.4(4) . . . . ?
K2 W3 O9 K5 141.3(8) . . . . ?
K3 W3 O9 K5 -48.1(7) 2_666 . . . ?
O9 K2 O9 W3 -142(100) 2 . . . ?
O11 K2 O9 W3 99.3(4) 2_655 . . . ?
O11 K2 O9 W3 -80.7(4) 1_455 . . . ?
O8 K2 O9 W3 20.9(4) 1_455 . . . ?
O8 K2 O9 W3 -159.1(4) 2_655 . . . ?
K3 K2 O9 W3 63.5(4) 2_565 . . . ?
K3 K2 O9 W3 -116.5(4) 1_545 . . . ?
W2 K2 O9 W3 118.1(4) 2_655 . . . ?
W2 K2 O9 W3 -61.9(4) 1_455 . . . ?
K5 K2 O9 W3 -23.6(5) 1_455 . . . ?
K5 K2 O9 W3 156.4(5) . . . . ?
O9 K2 O9 K3 -26(100) 2 . . 1_545 ?
O11 K2 O9 K3 -144.1(2) 2_655 . . 1_545 ?
O11 K2 O9 K3 35.9(2) 1_455 . . 1_545 ?
O8 K2 O9 K3 137.38(18) 1_455 . . 1_545 ?
O8 K2 O9 K3 -42.62(18) 2_655 . . 1_545 ?
K3 K2 O9 K3 180.0 2_565 . . 1_545 ?
W2 K2 O9 K3 -125.33(11) 2_655 . . 1_545 ?
W2 K2 O9 K3 54.67(11) 1_455 . . 1_545 ?
K5 K2 O9 K3 92.90(16) 1_455 . . 1_545 ?
K5 K2 O9 K3 -87.10(16) . . . 1_545 ?
O9 K2 O9 K5 61(100) 2 . . . ?
O11 K2 O9 K5 -57.04(18) 2_655 . . . ?
O11 K2 O9 K5 122.96(18) 1_455 . . . ?
O8 K2 O9 K5 -135.52(17) 1_455 . . . ?
O8 K2 O9 K5 44.48(17) 2_655 . . . ?
K3 K2 O9 K5 -92.90(16) 2_565 . . . ?
K3 K2 O9 K5 87.10(16) 1_545 . . . ?
W2 K2 O9 K5 -38.24(13) 2_655 . . . ?
W2 K2 O9 K5 141.76(13) 1_455 . . . ?
K5 K2 O9 K5 180.0 1_455 . . . ?
O8 K5 O9 W3 -16.9(5) . . . . ?
O8 K5 O9 W3 163.1(5) 2_655 . . . ?
O1 K5 O9 W3 -136.2(5) 2_655 . . . ?
O1 K5 O9 W3 43.8(5) . . . . ?
O9 K5 O9 W3 106(100) 2_655 . . . ?
O11 K5 O9 W3 -104.5(5) 2_655 . . . ?
O11 K5 O9 W3 75.5(5) . . . . ?
W2 K5 O9 W3 -111.1(5) 2_655 . . . ?
W2 K5 O9 W3 68.9(5) . . . . ?
K2 K5 O9 W3 -150.7(6) . . . . ?
K2 K5 O9 W3 29.3(6) 1_655 . . . ?
O8 K5 O9 K2 133.81(18) . . . . ?
O8 K5 O9 K2 -46.19(18) 2_655 . . . ?
O1 K5 O9 K2 14.6(2) 2_655 . . . ?
O1 K5 O9 K2 -165.4(2) . . . . ?
O9 K5 O9 K2 -103(100) 2_655 . . . ?
O11 K5 O9 K2 46.23(17) 2_655 . . . ?
O11 K5 O9 K2 -133.77(17) . . . . ?
W2 K5 O9 K2 39.67(14) 2_655 . . . ?
W2 K5 O9 K2 -140.33(14) . . . . ?
K2 K5 O9 K2 180.0 1_655 . . . ?
O8 K5 O9 K3 -139.60(18) . . . 1_545 ?
O8 K5 O9 K3 40.40(18) 2_655 . . 1_545 ?
O1 K5 O9 K3 101.16(18) 2_655 . . 1_545 ?
O1 K5 O9 K3 -78.84(18) . . . 1_545 ?
O9 K5 O9 K3 -16(100) 2_655 . . 1_545 ?
O11 K5 O9 K3 132.8(2) 2_655 . . 1_545 ?
O11 K5 O9 K3 -47.2(2) . . . 1_545 ?
W2 K5 O9 K3 126.26(12) 2_655 . . 1_545 ?
W2 K5 O9 K3 -53.74(12) . . . 1_545 ?
K2 K5 O9 K3 86.58(17) . . . 1_545 ?
K2 K5 O9 K3 -93.42(17) 1_655 . . 1_545 ?
O5 Mg1 O10 W3 95.9(5) 2_756 . . 2_656 ?
O1 Mg1 O10 W3 -110.7(5) . . . 2_656 ?
O6 Mg1 O10 W3 -1.7(5) . . . 2_656 ?
O7 Mg1 O10 W3 -140(4) . . . 2_656 ?
W2 Mg1 O10 W3 -121.1(5) . . . 2_656 ?
K3 Mg1 O10 W3 46.3(4) 2_666 . . 2_656 ?
K4 Mg1 O10 W3 120.4(4) 1_655 . . 2_656 ?
K4 Mg1 O10 W3 25.3(7) 2_666 . . 2_656 ?
O2 W2 O11 K1 -26.3(6) . . . 2_655 ?
O5 W2 O11 K1 92.2(5) . . . 2_655 ?
O1 W2 O11 K1 -145.4(5) . . . 2_655 ?
Mg1 W2 O11 K1 -161.2(3) . . . 2_655 ?
K4 W2 O11 K1 33.4(6) 2_656 . . 2_655 ?
K5 W2 O11 K1 -111.5(5) . . . 2_655 ?
K3 W2 O11 K1 102.3(5) 1_645 . . 2_655 ?
K2 W2 O11 K1 175.6(8) 1_655 . . 2_655 ?
K3 W2 O11 K1 -64.2(5) 1_545 . . 2_655 ?
K1 W2 O11 K1 -13.4(4) 1_545 . . 2_655 ?
O2 W2 O11 K2 158.1(3) . . . 1_655 ?
O5 W2 O11 K2 -83.3(4) . . . 1_655 ?
O1 W2 O11 K2 39.0(4) . . . 1_655 ?
Mg1 W2 O11 K2 23.3(5) . . . 1_655 ?
K4 W2 O11 K2 -142.1(2) 2_656 . . 1_655 ?
K5 W2 O11 K2 73.0(3) . . . 1_655 ?
K3 W2 O11 K2 -73.2(3) 1_645 . . 1_655 ?
K3 W2 O11 K2 120.3(3) 1_545 . . 1_655 ?
K1 W2 O11 K2 -175.6(8) 2_655 . . 1_655 ?
K1 W2 O11 K2 171.1(3) 1_545 . . 1_655 ?
O2 W2 O11 K3 -128.7(2) . . . 1_645 ?
O5 W2 O11 K3 -10.1(3) . . . 1_645 ?
O1 W2 O11 K3 112.2(2) . . . 1_645 ?
Mg1 W2 O11 K3 96.5(2) . . . 1_645 ?
K4 W2 O11 K3 -68.9(2) 2_656 . . 1_645 ?
K5 W2 O11 K3 146.2(2) . . . 1_645 ?
K2 W2 O11 K3 73.2(3) 1_655 . . 1_645 ?
K3 W2 O11 K3 -166.47(8) 1_545 . . 1_645 ?
K1 W2 O11 K3 -102.3(5) 2_655 . . 1_645 ?
K1 W2 O11 K3 -115.69(16) 1_545 . . 1_645 ?
O2 W2 O11 K5 85.2(3) . . . . ?
O5 W2 O11 K5 -156.3(2) . . . . ?
O1 W2 O11 K5 -33.9(2) . . . . ?
Mg1 W2 O11 K5 -49.7(3) . . . . ?
K4 W2 O11 K5 144.91(9) 2_656 . . . ?
K3 W2 O11 K5 -146.2(2) 1_645 . . . ?
K2 W2 O11 K5 -73.0(3) 1_655 . . . ?
K3 W2 O11 K5 47.34(18) 1_545 . . . ?
K1 W2 O11 K5 111.5(5) 2_655 . . . ?
K1 W2 O11 K5 98.11(12) 1_545 . . . ?
O8 K5 O11 W2 93.4(3) . . . . ?
O8 K5 O11 W2 -86.6(3) 2_655 . . . ?
O1 K5 O11 W2 -154.0(2) 2_655 . . . ?
O1 K5 O11 W2 26.0(2) . . . . ?
O9 K5 O11 W2 -14.1(3) . . . . ?
O9 K5 O11 W2 165.9(3) 2_655 . . . ?
O11 K5 O11 W2 -99(100) 2_655 . . . ?
W2 K5 O11 W2 180.000(1) 2_655 . . . ?
K2 K5 O11 W2 -61.2(3) . . . . ?
K2 K5 O11 W2 118.8(3) 1_655 . . . ?
O8 K5 O11 K1 -129.2(3) . . . 2_655 ?
O8 K5 O11 K1 50.8(3) 2_655 . . 2_655 ?
O1 K5 O11 K1 -16.7(3) 2_655 . . 2_655 ?
O1 K5 O11 K1 163.3(3) . . . 2_655 ?
O9 K5 O11 K1 123.2(2) . . . 2_655 ?
O9 K5 O11 K1 -56.8(2) 2_655 . . 2_655 ?
O11 K5 O11 K1 38(100) 2_655 . . 2_655 ?
W2 K5 O11 K1 -42.7(4) 2_655 . . 2_655 ?
W2 K5 O11 K1 137.3(4) . . . 2_655 ?
K2 K5 O11 K1 76.1(3) . . . 2_655 ?
K2 K5 O11 K1 -103.9(3) 1_655 . . 2_655 ?
O8 K5 O11 K2 -25.31(18) . . . 1_655 ?
O8 K5 O11 K2 154.69(18) 2_655 . . 1_655 ?
O1 K5 O11 K2 87.2(2) 2_655 . . 1_655 ?
O1 K5 O11 K2 -92.8(2) . . . 1_655 ?
O9 K5 O11 K2 -132.85(17) . . . 1_655 ?
O9 K5 O11 K2 47.15(17) 2_655 . . 1_655 ?
O11 K5 O11 K2 142(100) 2_655 . . 1_655 ?
W2 K5 O11 K2 61.2(3) 2_655 . . 1_655 ?
W2 K5 O11 K2 -118.8(3) . . . 1_655 ?
K2 K5 O11 K2 180.0 . . . 1_655 ?
O8 K5 O11 K3 9.8(4) . . . 1_645 ?
O8 K5 O11 K3 -170.2(4) 2_655 . . 1_645 ?
O1 K5 O11 K3 122.4(4) 2_655 . . 1_645 ?
O1 K5 O11 K3 -57.6(4) . . . 1_645 ?
O9 K5 O11 K3 -97.7(4) . . . 1_645 ?
O9 K5 O11 K3 82.3(4) 2_655 . . 1_645 ?
O11 K5 O11 K3 177(100) 2_655 . . 1_645 ?
W2 K5 O11 K3 96.4(5) 2_655 . . 1_645 ?
W2 K5 O11 K3 -83.6(5) . . . 1_645 ?
K2 K5 O11 K3 -144.9(3) . . . 1_645 ?
K2 K5 O11 K3 35.1(3) 1_655 . . 1_645 ?
O4 W1 O12 K1 -158.7(7) . . . . ?
O8 W1 O12 K1 80.6(8) . . . . ?
O7 W1 O12 K1 -43.3(9) . . . . ?
K4 W1 O12 K1 -97.7(8) 1_655 . . . ?
K4 W1 O12 K1 -69.9(7) 2_666 . . . ?
K1 W1 O12 K1 168.6(6) 1_655 . . . ?
K5 W1 O12 K1 45.8(8) . . . . ?
K3 W1 O12 K1 106.7(8) 2_665 . . . ?
K1 W1 O12 K1 142.8(10) 2_665 . . . ?
K3 W1 O12 K1 -154.4(8) 1_655 . . . ?
O4 W1 O12 K1 58.5(4) . . . 2_665 ?
O8 W1 O12 K1 -62.2(5) . . . 2_665 ?
O7 W1 O12 K1 173.9(4) . . . 2_665 ?
K4 W1 O12 K1 119.5(3) 1_655 . . 2_665 ?
K4 W1 O12 K1 147.3(5) 2_666 . . 2_665 ?
K1 W1 O12 K1 25.8(5) 1_655 . . 2_665 ?
K5 W1 O12 K1 -97.0(3) . . . 2_665 ?
K3 W1 O12 K1 -36.1(3) 2_665 . . 2_665 ?
K3 W1 O12 K1 62.8(3) 1_655 . . 2_665 ?
O4 W1 O12 K4 -88.8(3) . . . 2_666 ?
O8 W1 O12 K4 150.4(3) . . . 2_666 ?
O7 W1 O12 K4 26.6(3) . . . 2_666 ?
K4 W1 O12 K4 -27.9(3) 1_655 . . 2_666 ?
K1 W1 O12 K4 -121.56(19) 1_655 . . 2_666 ?
K5 W1 O12 K4 115.67(15) . . . 2_666 ?
K3 W1 O12 K4 176.54(16) 2_665 . . 2_666 ?
K1 W1 O12 K4 -147.3(5) 2_665 . . 2_666 ?
K3 W1 O12 K4 -84.51(14) 1_655 . . 2_666 ?
O11 K1 O12 W1 -71.1(8) 2_655 . . . ?
O4 K1 O12 W1 85.2(10) 1_455 . . . ?
O2 K1 O12 W1 123.8(8) 1_565 . . . ?
O3 K1 O12 W1 36.6(8) . . . . ?
O12 K1 O12 W1 -148.2(9) 2_665 . . . ?
K1 K1 O12 W1 -148.2(9) 2_665 . . . ?
W1 K1 O12 W1 26.0(12) 1_455 . . . ?
K3 K1 O12 W1 133.7(7) . . . . ?
K4 K1 O12 W1 72.2(8) 2_666 . . . ?
W1 K1 O12 W1 -155.6(7) 2_665 . . . ?
W2 K1 O12 W1 -86.9(8) 2_655 . . . ?
O11 K1 O12 K1 77.1(2) 2_655 . . 2_665 ?
O4 K1 O12 K1 -126.6(5) 1_455 . . 2_665 ?
O2 K1 O12 K1 -88.0(2) 1_565 . . 2_665 ?
O3 K1 O12 K1 -175.2(2) . . . 2_665 ?
O12 K1 O12 K1 0.0 2_665 . . 2_665 ?
W1 K1 O12 K1 174.2(4) 1_455 . . 2_665 ?
K3 K1 O12 K1 -78.1(2) . . . 2_665 ?
K4 K1 O12 K1 -139.5(3) 2_666 . . 2_665 ?
W1 K1 O12 K1 -7.4(2) 2_665 . . 2_665 ?
W2 K1 O12 K1 61.31(14) 2_655 . . 2_665 ?
O11 K1 O12 K4 -143.4(2) 2_655 . . 2_666 ?
O4 K1 O12 K4 13.0(6) 1_455 . . 2_666 ?
O2 K1 O12 K4 51.54(17) 1_565 . . 2_666 ?
O3 K1 O12 K4 -35.69(18) . . . 2_666 ?
O12 K1 O12 K4 139.5(3) 2_665 . . 2_666 ?
K1 K1 O12 K4 139.5(3) 2_665 . . 2_666 ?
W1 K1 O12 K4 -46.3(6) 1_455 . . 2_666 ?
K3 K1 O12 K4 61.4(2) . . . 2_666 ?
W1 K1 O12 K4 132.17(11) 2_665 . . 2_666 ?
W2 K1 O12 K4 -159.16(14) 2_655 . . 2_666 ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        27.59
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         2.109
_refine_diff_density_min         -2.444
_refine_diff_density_rms         0.316
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1038840'
_audit_update_record             
;
2014-12-11 deposited with the CCDC.
2015-02-25 downloaded from the CCDC.
;

_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
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1038841'
_audit_update_record             
;
2014-12-11 deposited with the CCDC.
2015-02-25 downloaded from the CCDC.
;

_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
