# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_BMW
_database_code_depnum_ccdc_archive 'CCDC 1031033'
_audit_update_record             
;
2014-10-25 deposited with the CCDC.
2015-05-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Bi2 Mo2.66 O12 W0.34'
_chemical_formula_sum            'Bi2 Mo2.66 O12 W0.34'
_chemical_formula_weight         928.11

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'
Mo Mo -1.6832 0.6857 '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'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.7212(8)
_cell_length_b                   11.4938(12)
_cell_length_c                   11.9970(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.5070(10)
_cell_angle_gamma                90.00
_cell_volume                     960.91(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2062
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      27.35

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    6.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1596
_exptl_absorpt_coefficient_mu    44.051
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1265
_exptl_absorpt_correction_T_max  0.1775
_exptl_absorpt_process_details   'APEX2 Software Suite (Bruker,2009)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX2 CCD area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11077
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.58
_diffrn_reflns_theta_max         27.49
_reflns_number_total             2196
_reflns_number_gt                1804
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 Software Suite (Bruker,2009)'
_computing_cell_refinement       'APEX2 Software Suite (Bruker,2009)'
_computing_data_reduction        'APEX2 Software Suite (Bruker,2009)'
_computing_structure_solution    'SIR97 (Altomare,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'WINGX (Farrugia,1999)'

_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)+(0.0144P)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       0.00224(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2196
_refine_ls_number_parameters     158
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0249
_refine_ls_wR_factor_ref         0.0479
_refine_ls_wR_factor_gt          0.0449
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      1.009
_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
Bi1 Bi 1.26149(4) 0.86272(3) 0.25643(3) 0.00847(9) Uani 1 1 d . . .
Bi2 Bi 0.90705(4) 0.62962(3) 0.08304(3) 0.00947(9) Uani 1 1 d . . .
Mo1 Mo 1.03401(9) 0.88894(5) -0.08313(5) 0.0074(2) Uani 0.877(3) 1 d P . .
W1 W 1.03401(9) 0.88894(5) -0.08313(5) 0.0074(2) Uani 0.123(3) 1 d P . .
Mo2 Mo 0.73543(10) 0.86725(6) 0.19543(6) 0.0083(2) Uani 0.974(3) 1 d P . .
W2 W 0.73543(10) 0.86725(6) 0.19543(6) 0.0083(2) Uani 0.026(3) 1 d P . .
Mo3 Mo 0.42050(8) 0.65223(5) 0.10791(5) 0.0071(2) Uani 0.805(3) 1 d P . .
W3 W 0.42050(8) 0.65223(5) 0.10791(5) 0.0071(2) Uani 0.195(3) 1 d P . .
O1 O 0.9372(8) 0.9456(4) -0.2439(5) 0.0093(12) Uani 1 1 d . . .
O2 O 1.2246(8) 0.7982(5) -0.0628(5) 0.0156(14) Uani 1 1 d . . .
O3 O 0.8620(8) 0.7925(5) -0.0859(5) 0.0154(14) Uani 1 1 d . . .
O4 O 1.1261(8) 0.9492(5) 0.0810(5) 0.0104(12) Uani 1 1 d . . .
O5 O 0.9528(8) 0.7904(5) 0.1983(5) 0.0114(13) Uani 1 1 d . . .
O6 O 0.6949(9) 0.9691(5) 0.0850(5) 0.0185(14) Uani 1 1 d . . .
O7 O 0.8389(8) 0.9413(5) 0.3345(5) 0.0164(14) Uani 1 1 d . . .
O8 O 0.5064(8) 0.8153(5) 0.1976(5) 0.0149(13) Uani 1 1 d . . .
O9 O 0.2192(7) 0.6945(5) 0.1526(5) 0.0091(12) Uani 1 1 d . . .
O10 O 0.5435(8) 0.5519(5) 0.2208(5) 0.0152(14) Uani 1 1 d . . .
O11 O 0.2869(8) 0.5644(5) -0.0204(5) 0.0159(14) Uani 1 1 d . . .
O12 O 0.6207(8) 0.7070(5) 0.0703(5) 0.0160(14) 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
Bi1 O4 2.148(5) . ?
Bi1 O9 2.247(5) 1_655 ?
Bi1 O5 2.330(6) . ?
Bi1 O8 2.349(6) 1_655 ?
Bi1 O10 2.591(5) 2_755 ?
Bi1 O1 2.652(5) 3_775 ?
Bi1 O11 2.731(6) 4_676 ?
Bi2 O1 2.167(5) 4_576 ?
Bi2 O5 2.243(5) . ?
Bi2 O9 2.308(5) 1_655 ?
Bi2 O12 2.326(6) . ?
Bi2 O11 2.610(6) 3_665 ?
Bi2 O3 2.670(6) . ?
Mo1 O3 1.719(6) . ?
Mo1 O2 1.733(6) . ?
Mo1 O1 1.860(5) . ?
Mo1 O4 1.912(5) . ?
Mo1 O4 2.240(5) 3_775 ?
Mo2 O6 1.693(6) . ?
Mo2 O7 1.731(6) . ?
Mo2 O8 1.877(6) . ?
Mo2 O5 1.884(5) . ?
Mo2 O12 2.300(6) . ?
Mo3 O10 1.720(5) . ?
Mo3 O11 1.756(6) . ?
Mo3 O12 1.895(6) . ?
Mo3 O9 1.912(5) . ?
Mo3 O8 2.121(5) . ?
O1 Bi2 2.167(5) 4_575 ?
O1 Bi1 2.652(5) 3_775 ?
O4 W1 2.240(5) 3_775 ?
O4 Mo1 2.240(5) 3_775 ?
O8 Bi1 2.349(6) 1_455 ?
O9 Bi1 2.247(5) 1_455 ?
O9 Bi2 2.308(5) 1_455 ?
O10 Bi1 2.591(5) 2_745 ?
O11 Bi2 2.610(6) 3_665 ?
O11 Bi1 2.731(6) 4_475 ?

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 Bi1 O9 87.8(2) . 1_655 ?
O4 Bi1 O5 82.4(2) . . ?
O9 Bi1 O5 68.97(19) 1_655 . ?
O4 Bi1 O8 85.9(2) . 1_655 ?
O9 Bi1 O8 65.02(19) 1_655 1_655 ?
O5 Bi1 O8 132.81(19) . 1_655 ?
O4 Bi1 O10 74.38(19) . 2_755 ?
O9 Bi1 O10 136.04(19) 1_655 2_755 ?
O5 Bi1 O10 143.54(18) . 2_755 ?
O8 Bi1 O10 73.73(18) 1_655 2_755 ?
O4 Bi1 O1 62.25(18) . 3_775 ?
O9 Bi1 O1 137.84(18) 1_655 3_775 ?
O5 Bi1 O1 77.71(17) . 3_775 ?
O8 Bi1 O1 134.14(18) 1_655 3_775 ?
O10 Bi1 O1 66.71(17) 2_755 3_775 ?
O4 Bi1 O11 128.15(18) . 4_676 ?
O9 Bi1 O11 137.70(18) 1_655 4_676 ?
O5 Bi1 O11 92.01(18) . 4_676 ?
O8 Bi1 O11 129.66(19) 1_655 4_676 ?
O10 Bi1 O11 81.14(17) 2_755 4_676 ?
O1 Bi1 O11 66.19(16) 3_775 4_676 ?
O1 Bi2 O5 79.30(19) 4_576 . ?
O1 Bi2 O9 96.8(2) 4_576 1_655 ?
O5 Bi2 O9 69.42(19) . 1_655 ?
O1 Bi2 O12 85.6(2) 4_576 . ?
O5 Bi2 O12 67.6(2) . . ?
O9 Bi2 O12 135.67(19) 1_655 . ?
O1 Bi2 O11 75.32(19) 4_576 3_665 ?
O5 Bi2 O11 143.12(19) . 3_665 ?
O9 Bi2 O11 139.49(18) 1_655 3_665 ?
O12 Bi2 O11 84.05(19) . 3_665 ?
O1 Bi2 O3 158.81(18) 4_576 . ?
O5 Bi2 O3 79.93(19) . . ?
O9 Bi2 O3 79.77(18) 1_655 . ?
O12 Bi2 O3 82.68(19) . . ?
O11 Bi2 O3 120.63(17) 3_665 . ?
O3 Mo1 O2 102.5(3) . . ?
O3 Mo1 O1 104.1(3) . . ?
O2 Mo1 O1 107.1(3) . . ?
O3 Mo1 O4 101.2(3) . . ?
O2 Mo1 O4 99.0(3) . . ?
O1 Mo1 O4 138.2(2) . . ?
O3 Mo1 O4 96.3(2) . 3_775 ?
O2 Mo1 O4 159.7(2) . 3_775 ?
O1 Mo1 O4 75.1(2) . 3_775 ?
O4 Mo1 O4 69.5(2) . 3_775 ?
O6 Mo2 O7 105.5(3) . . ?
O6 Mo2 O8 111.9(3) . . ?
O7 Mo2 O8 100.9(3) . . ?
O6 Mo2 O5 101.6(3) . . ?
O7 Mo2 O5 100.1(3) . . ?
O8 Mo2 O5 133.4(2) . . ?
O6 Mo2 O12 98.8(2) . . ?
O7 Mo2 O12 155.7(2) . . ?
O8 Mo2 O12 69.8(2) . . ?
O5 Mo2 O12 74.1(2) . . ?
O10 Mo3 O11 102.8(3) . . ?
O10 Mo3 O12 100.4(3) . . ?
O11 Mo3 O12 102.3(3) . . ?
O10 Mo3 O9 100.9(3) . . ?
O11 Mo3 O9 98.6(3) . . ?
O12 Mo3 O9 145.8(2) . . ?
O10 Mo3 O8 104.3(2) . . ?
O11 Mo3 O8 152.9(2) . . ?
O12 Mo3 O8 73.7(2) . . ?
O9 Mo3 O8 75.4(2) . . ?
Mo1 O1 Bi2 133.1(3) . 4_575 ?
Mo1 O1 Bi1 108.3(2) . 3_775 ?
Bi2 O1 Bi1 117.1(2) 4_575 3_775 ?
Mo1 O3 Bi2 126.2(3) . . ?
Mo1 O4 Bi1 130.5(3) . . ?
Mo1 O4 W1 110.5(2) . 3_775 ?
Bi1 O4 W1 114.3(2) . 3_775 ?
Mo1 O4 Mo1 110.5(2) . 3_775 ?
Bi1 O4 Mo1 114.3(2) . 3_775 ?
W1 O4 Mo1 0.00(3) 3_775 3_775 ?
Mo2 O5 Bi2 118.2(3) . . ?
Mo2 O5 Bi1 128.8(3) . . ?
Bi2 O5 Bi1 110.3(2) . . ?
Mo2 O8 Mo3 111.4(3) . . ?
Mo2 O8 Bi1 144.6(3) . 1_455 ?
Mo3 O8 Bi1 103.9(2) . 1_455 ?
Mo3 O9 Bi1 115.6(2) . 1_455 ?
Mo3 O9 Bi2 131.7(3) . 1_455 ?
Bi1 O9 Bi2 111.0(2) 1_455 1_455 ?
Mo3 O10 Bi1 138.1(3) . 2_745 ?
Mo3 O11 Bi2 142.3(3) . 3_665 ?
Mo3 O11 Bi1 116.7(3) . 4_475 ?
Bi2 O11 Bi1 100.93(18) 3_665 4_475 ?
Mo3 O12 Mo2 103.6(3) . . ?
Mo3 O12 Bi2 135.0(3) . . ?
Mo2 O12 Bi2 100.1(2) . . ?

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
O3 Mo1 O1 Bi2 -73.1(4) . . . 4_575 ?
O2 Mo1 O1 Bi2 35.0(4) . . . 4_575 ?
O4 Mo1 O1 Bi2 161.2(3) . . . 4_575 ?
O4 Mo1 O1 Bi2 -166.1(4) 3_775 . . 4_575 ?
O3 Mo1 O1 Bi1 92.2(3) . . . 3_775 ?
O2 Mo1 O1 Bi1 -159.7(2) . . . 3_775 ?
O4 Mo1 O1 Bi1 -33.5(4) . . . 3_775 ?
O4 Mo1 O1 Bi1 -0.76(19) 3_775 . . 3_775 ?
O2 Mo1 O3 Bi2 52.3(4) . . . . ?
O1 Mo1 O3 Bi2 163.8(3) . . . . ?
O4 Mo1 O3 Bi2 -49.7(4) . . . . ?
O4 Mo1 O3 Bi2 -120.0(3) 3_775 . . . ?
O1 Bi2 O3 Mo1 75.1(7) 4_576 . . . ?
O5 Bi2 O3 Mo1 63.5(3) . . . . ?
O9 Bi2 O3 Mo1 -7.2(3) 1_655 . . . ?
O12 Bi2 O3 Mo1 131.9(4) . . . . ?
O11 Bi2 O3 Mo1 -149.5(3) 3_665 . . . ?
O3 Mo1 O4 Bi1 61.1(4) . . . . ?
O2 Mo1 O4 Bi1 -43.6(4) . . . . ?
O1 Mo1 O4 Bi1 -172.3(3) . . . . ?
O4 Mo1 O4 Bi1 153.8(5) 3_775 . . . ?
O3 Mo1 O4 W1 -92.6(3) . . . 3_775 ?
O2 Mo1 O4 W1 162.6(3) . . . 3_775 ?
O1 Mo1 O4 W1 33.9(5) . . . 3_775 ?
O4 Mo1 O4 W1 0.0 3_775 . . 3_775 ?
O3 Mo1 O4 Mo1 -92.6(3) . . . 3_775 ?
O2 Mo1 O4 Mo1 162.6(3) . . . 3_775 ?
O1 Mo1 O4 Mo1 33.9(5) . . . 3_775 ?
O4 Mo1 O4 Mo1 0.0 3_775 . . 3_775 ?
O9 Bi1 O4 Mo1 -3.1(4) 1_655 . . . ?
O5 Bi1 O4 Mo1 -72.2(4) . . . . ?
O8 Bi1 O4 Mo1 62.0(4) 1_655 . . . ?
O10 Bi1 O4 Mo1 136.2(4) 2_755 . . . ?
O1 Bi1 O4 Mo1 -152.2(4) 3_775 . . . ?
O11 Bi1 O4 Mo1 -158.8(3) 4_676 . . . ?
O9 Bi1 O4 W1 149.9(3) 1_655 . . 3_775 ?
O5 Bi1 O4 W1 80.8(3) . . . 3_775 ?
O8 Bi1 O4 W1 -145.0(3) 1_655 . . 3_775 ?
O10 Bi1 O4 W1 -70.8(3) 2_755 . . 3_775 ?
O1 Bi1 O4 W1 0.75(19) 3_775 . . 3_775 ?
O11 Bi1 O4 W1 -5.8(4) 4_676 . . 3_775 ?
O9 Bi1 O4 Mo1 149.9(3) 1_655 . . 3_775 ?
O5 Bi1 O4 Mo1 80.8(3) . . . 3_775 ?
O8 Bi1 O4 Mo1 -145.0(3) 1_655 . . 3_775 ?
O10 Bi1 O4 Mo1 -70.8(3) 2_755 . . 3_775 ?
O1 Bi1 O4 Mo1 0.75(19) 3_775 . . 3_775 ?
O11 Bi1 O4 Mo1 -5.8(4) 4_676 . . 3_775 ?
O6 Mo2 O5 Bi2 -94.3(3) . . . . ?
O7 Mo2 O5 Bi2 157.4(3) . . . . ?
O8 Mo2 O5 Bi2 41.8(5) . . . . ?
O12 Mo2 O5 Bi2 1.7(2) . . . . ?
O6 Mo2 O5 Bi1 65.3(4) . . . . ?
O7 Mo2 O5 Bi1 -43.0(4) . . . . ?
O8 Mo2 O5 Bi1 -158.6(3) . . . . ?
O12 Mo2 O5 Bi1 161.3(4) . . . . ?
O1 Bi2 O5 Mo2 -91.3(3) 4_576 . . . ?
O9 Bi2 O5 Mo2 167.2(4) 1_655 . . . ?
O12 Bi2 O5 Mo2 -1.7(2) . . . . ?
O11 Bi2 O5 Mo2 -44.3(5) 3_665 . . . ?
O3 Bi2 O5 Mo2 84.4(3) . . . . ?
O1 Bi2 O5 Bi1 105.5(2) 4_576 . . . ?
O9 Bi2 O5 Bi1 4.0(2) 1_655 . . . ?
O12 Bi2 O5 Bi1 -164.9(3) . . . . ?
O11 Bi2 O5 Bi1 152.6(2) 3_665 . . . ?
O3 Bi2 O5 Bi1 -78.7(2) . . . . ?
O4 Bi1 O5 Mo2 -74.5(4) . . . . ?
O9 Bi1 O5 Mo2 -165.0(4) 1_655 . . . ?
O8 Bi1 O5 Mo2 -151.7(3) 1_655 . . . ?
O10 Bi1 O5 Mo2 -24.0(5) 2_755 . . . ?
O1 Bi1 O5 Mo2 -11.3(3) 3_775 . . . ?
O11 Bi1 O5 Mo2 53.8(3) 4_676 . . . ?
O4 Bi1 O5 Bi2 86.4(2) . . . . ?
O9 Bi1 O5 Bi2 -4.2(2) 1_655 . . . ?
O8 Bi1 O5 Bi2 9.2(4) 1_655 . . . ?
O10 Bi1 O5 Bi2 136.9(3) 2_755 . . . ?
O1 Bi1 O5 Bi2 149.5(3) 3_775 . . . ?
O11 Bi1 O5 Bi2 -145.4(2) 4_676 . . . ?
O6 Mo2 O8 Mo3 101.1(3) . . . . ?
O7 Mo2 O8 Mo3 -147.2(3) . . . . ?
O5 Mo2 O8 Mo3 -31.8(5) . . . . ?
O12 Mo2 O8 Mo3 9.5(2) . . . . ?
O6 Mo2 O8 Bi1 -75.9(6) . . . 1_455 ?
O7 Mo2 O8 Bi1 35.9(6) . . . 1_455 ?
O5 Mo2 O8 Bi1 151.2(4) . . . 1_455 ?
O12 Mo2 O8 Bi1 -167.5(6) . . . 1_455 ?
O10 Mo3 O8 Mo2 85.6(3) . . . . ?
O11 Mo3 O8 Mo2 -96.4(6) . . . . ?
O12 Mo3 O8 Mo2 -11.3(3) . . . . ?
O9 Mo3 O8 Mo2 -176.7(3) . . . . ?
O10 Mo3 O8 Bi1 -96.2(3) . . . 1_455 ?
O11 Mo3 O8 Bi1 81.8(6) . . . 1_455 ?
O12 Mo3 O8 Bi1 166.9(3) . . . 1_455 ?
O9 Mo3 O8 Bi1 1.5(2) . . . 1_455 ?
O10 Mo3 O9 Bi1 100.4(3) . . . 1_455 ?
O11 Mo3 O9 Bi1 -154.7(3) . . . 1_455 ?
O12 Mo3 O9 Bi1 -27.2(6) . . . 1_455 ?
O8 Mo3 O9 Bi1 -1.7(3) . . . 1_455 ?
O10 Mo3 O9 Bi2 -96.2(4) . . . 1_455 ?
O11 Mo3 O9 Bi2 8.7(4) . . . 1_455 ?
O12 Mo3 O9 Bi2 136.2(4) . . . 1_455 ?
O8 Mo3 O9 Bi2 161.7(4) . . . 1_455 ?
O11 Mo3 O10 Bi1 45.2(5) . . . 2_745 ?
O12 Mo3 O10 Bi1 -60.2(5) . . . 2_745 ?
O9 Mo3 O10 Bi1 146.7(4) . . . 2_745 ?
O8 Mo3 O10 Bi1 -135.8(4) . . . 2_745 ?
O10 Mo3 O11 Bi2 38.4(5) . . . 3_665 ?
O12 Mo3 O11 Bi2 142.2(5) . . . 3_665 ?
O9 Mo3 O11 Bi2 -65.0(5) . . . 3_665 ?
O8 Mo3 O11 Bi2 -139.7(4) . . . 3_665 ?
O10 Mo3 O11 Bi1 -139.3(3) . . . 4_475 ?
O12 Mo3 O11 Bi1 -35.5(3) . . . 4_475 ?
O9 Mo3 O11 Bi1 117.4(3) . . . 4_475 ?
O8 Mo3 O11 Bi1 42.6(7) . . . 4_475 ?
O10 Mo3 O12 Mo2 -93.2(3) . . . . ?
O11 Mo3 O12 Mo2 161.1(2) . . . . ?
O9 Mo3 O12 Mo2 34.5(5) . . . . ?
O8 Mo3 O12 Mo2 8.8(2) . . . . ?
O10 Mo3 O12 Bi2 26.5(5) . . . . ?
O11 Mo3 O12 Bi2 -79.2(4) . . . . ?
O9 Mo3 O12 Bi2 154.3(3) . . . . ?
O8 Mo3 O12 Bi2 128.5(4) . . . . ?
O6 Mo2 O12 Mo3 -120.4(3) . . . . ?
O7 Mo2 O12 Mo3 60.8(6) . . . . ?
O8 Mo2 O12 Mo3 -10.2(3) . . . . ?
O5 Mo2 O12 Mo3 140.0(3) . . . . ?
O6 Mo2 O12 Bi2 98.2(3) . . . . ?
O7 Mo2 O12 Bi2 -80.6(6) . . . . ?
O8 Mo2 O12 Bi2 -151.6(3) . . . . ?
O5 Mo2 O12 Bi2 -1.5(2) . . . . ?
O1 Bi2 O12 Mo3 -39.5(4) 4_576 . . . ?
O5 Bi2 O12 Mo3 -119.7(5) . . . . ?
O9 Bi2 O12 Mo3 -134.6(4) 1_655 . . . ?
O11 Bi2 O12 Mo3 36.2(4) 3_665 . . . ?
O3 Bi2 O12 Mo3 158.2(4) . . . . ?
O1 Bi2 O12 Mo2 81.5(2) 4_576 . . . ?
O5 Bi2 O12 Mo2 1.28(18) . . . . ?
O9 Bi2 O12 Mo2 -13.6(4) 1_655 . . . ?
O11 Bi2 O12 Mo2 157.2(2) 3_665 . . . ?
O3 Bi2 O12 Mo2 -80.8(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.230
_refine_diff_density_min         -1.223
_refine_diff_density_rms         0.322
