# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1964107'
loop_
_audit_author_name
_audit_author_address
'Hisanori Yamane'
;Tohoku University
Japan
;
_audit_update_record             
;
2019-11-06 deposited with the CCDC.	2019-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Bi1.62 Ga0.14 O6.64 Ti2'
_chemical_formula_weight         551.26

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'
Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 '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'

_space_group_crystal_system      cubic
_space_group_IT_number           210
_space_group_name_H-M_alt        'F 41 3 2'
_space_group_name_Hall           'F 4d 2 3'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z'
'x+1/2, -y, -z+1/2'
'z, x, y'
'z+1/2, -x, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z+1/2, x+1/2, -y'
'y, z, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z, -x+1/2'
'-y, -z+1/2, x+1/2'
'y+3/4, x+1/4, -z+3/4'
'-y+1/4, -x+1/4, -z+1/4'
'y+1/4, -x+3/4, z+3/4'
'-y+3/4, x+3/4, z+1/4'
'x+3/4, z+1/4, -y+3/4'
'-x+3/4, z+3/4, y+1/4'
'-x+1/4, -z+1/4, -y+1/4'
'x+1/4, -z+3/4, y+3/4'
'z+3/4, y+1/4, -x+3/4'
'z+1/4, -y+3/4, x+3/4'
'-z+3/4, y+3/4, x+1/4'
'-z+1/4, -y+1/4, -x+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1, z+1'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z+1'
'z, x+1/2, y+1/2'
'z+1/2, -x+1/2, -y+1'
'-z, -x+1, y+1'
'-z+1/2, x+1, -y+1/2'
'y, z+1/2, x+1/2'
'-y+1/2, z+1, -x+1/2'
'y+1/2, -z+1/2, -x+1'
'-y, -z+1, x+1'
'y+3/4, x+3/4, -z+5/4'
'-y+1/4, -x+3/4, -z+3/4'
'y+1/4, -x+5/4, z+5/4'
'-y+3/4, x+5/4, z+3/4'
'x+3/4, z+3/4, -y+5/4'
'-x+3/4, z+5/4, y+3/4'
'-x+1/4, -z+3/4, -y+3/4'
'x+1/4, -z+5/4, y+5/4'
'z+3/4, y+3/4, -x+5/4'
'z+1/4, -y+5/4, x+5/4'
'-z+3/4, y+5/4, x+3/4'
'-z+1/4, -y+3/4, -x+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y+1/2, z+1'
'-x+1, y+1/2, -z+1/2'
'x+1, -y, -z+1'
'z+1/2, x, y+1/2'
'z+1, -x, -y+1'
'-z+1/2, -x+1/2, y+1'
'-z+1, x+1/2, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1, z+1/2, -x+1/2'
'y+1, -z, -x+1'
'-y+1/2, -z+1/2, x+1'
'y+5/4, x+1/4, -z+5/4'
'-y+3/4, -x+1/4, -z+3/4'
'y+3/4, -x+3/4, z+5/4'
'-y+5/4, x+3/4, z+3/4'
'x+5/4, z+1/4, -y+5/4'
'-x+5/4, z+3/4, y+3/4'
'-x+3/4, -z+1/4, -y+3/4'
'x+3/4, -z+3/4, y+5/4'
'z+5/4, y+1/4, -x+5/4'
'z+3/4, -y+3/4, x+5/4'
'-z+5/4, y+3/4, x+3/4'
'-z+3/4, -y+1/4, -x+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'-x+1, y+1, -z'
'x+1, -y+1/2, -z+1/2'
'z+1/2, x+1/2, y'
'z+1, -x+1/2, -y+1/2'
'-z+1/2, -x+1, y+1/2'
'-z+1, x+1, -y'
'y+1/2, z+1/2, x'
'-y+1, z+1, -x'
'y+1, -z+1/2, -x+1/2'
'-y+1/2, -z+1, x+1/2'
'y+5/4, x+3/4, -z+3/4'
'-y+3/4, -x+3/4, -z+1/4'
'y+3/4, -x+5/4, z+3/4'
'-y+5/4, x+5/4, z+1/4'
'x+5/4, z+3/4, -y+3/4'
'-x+5/4, z+5/4, y+1/4'
'-x+3/4, -z+3/4, -y+1/4'
'x+3/4, -z+5/4, y+3/4'
'z+5/4, y+3/4, -x+3/4'
'z+3/4, -y+5/4, x+3/4'
'-z+5/4, y+5/4, x+1/4'
'-z+3/4, -y+3/4, -x+1/4'

_cell_length_a                   10.3363(2)
_cell_length_b                   10.3363(2)
_cell_length_c                   10.3363(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1104.32(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    303(2)
_cell_measurement_reflns_used    5652
_cell_measurement_theta_min      3.414
_cell_measurement_theta_max      46.355

_exptl_crystal_description       platelet
_exptl_crystal_colour            'translucent yellow'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    6.631
_exptl_crystal_F_000             1890
_exptl_crystal_size_max          0.078
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.028
_exptl_absorpt_coefficient_mu    55.070
_shelx_estimated_absorpt_T_min   0.099
_shelx_estimated_absorpt_T_max   0.308
_exptl_absorpt_correction_type   'Numerical Mu From Formula'
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.1227
_exptl_absorpt_correction_T_max  0.3803

_diffrn_ambient_temperature      303(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro focus sealed tube'
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'ω, φ scans'
_diffrn_detector_area_resol_mean 7.4074
_diffrn_reflns_number            11877
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.414
_diffrn_reflns_theta_max         46.354
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.967
_reflns_number_total             421
_reflns_number_gt                399
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.457
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX3   (Bruker AXS)'
_computing_cell_refinement       'APEX3   (Bruker AXS)'
_computing_data_reduction        'APEX3   (Bruker AXS)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'VESTA v2.1.6 (Momma & Izumi, 2011)'
_computing_publication_material  ?

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0501P)²+54.3597P] where P=(Fo²+2Fc²)/3'
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0027(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.50(6)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         421
_refine_ls_number_parameters     38
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0555
_refine_ls_wR_factor_ref         0.1555
_refine_ls_wR_factor_gt          0.1536
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_restrained_S_all      1.183
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.704
_refine_diff_density_min         -1.552
_refine_diff_density_rms         0.408

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.1104(3) 0.1550(3) 0.1056(4) 0.0200(7) Uani 0.1354 1 d . . P . .
Ga1 Ga 0.1250 0.190(3) 0.060(3) 0.011(5) Uiso 0.0228 2 d S . P . .
Ti1A Ti 0.6250 0.6250 0.6250 0.0039(4) Uani 0.6301(2) 6 d S T P . .
Ti1B Ti 0.1171(14) 0.5948(14) 0.1392(13) 0.009(3) Uiso 0.06165(4) 1 d . . P . .
O1A O 0.3056(6) 0.0000 0.0000 0.0148(9) Uani 0.85935(7) 2 d S T P . .
O1B O 0.077(8) 0.177(9) 0.520(9) 0.028(14) Uiso 0.07032(4) 1 d . . P . .
O2A O 0.0000 0.0000 0.0000 0.020(11) Uiso 0.1974(4) 12 d S . P . .
O2B O 0.033(4) 0.033(4) 0.033(4) 0.021(10) Uiso 0.11128(11) 3 d S . P . .


_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 Bi1 0.339(5) 19 ?
Bi1 Bi1 0.459(5) 14 ?
Bi1 Ga1 0.61(5) . ?
Bi1 Bi1 0.689(4) 5 ?
Bi1 Bi1 0.689(4) 9 ?
Bi1 Bi1 0.794(4) 24 ?
Bi1 Ga1 1.06(5) 5 ?
Bi1 Ga1 1.29(5) 9 ?
Bi1 O2B 1.67(7) . ?
Bi1 O2B 1.72(7) 14 ?
Bi1 O1B 2.19(10) 76_455 ?
Bi1 O1A 2.217(5) 5 ?
Ga1 Bi1 0.61(5) 19 ?
Ga1 Bi1 1.06(5) 14 ?
Ga1 Bi1 1.06(5) 9 ?
Ga1 Bi1 1.29(5) 24 ?
Ga1 Bi1 1.29(5) 5 ?
Ga1 Ga1 1.64(8) 9 ?
Ga1 Ga1 1.64(8) 5 ?
Ga1 O1B 1.68(10) 76_455 ?
Ga1 O1B 1.68(10) 66_444 ?
Ga1 O1A 1.87(3) 69_454 ?
Ga1 O1A 1.87(3) 5 ?
Ti1A O1B 1.31(10) 48_655 ?
Ti1A O1B 1.31(10) 86_556 ?
Ti1A O1B 1.31(10) 73 ?
Ti1A O1B 1.31(10) 67_565 ?
Ti1A O1B 1.31(10) 57 ?
Ti1A O1B 1.31(10) 29 ?
Ti1A O1A 1.963(2) 70_554 ?
Ti1A O1A 1.963(2) 89_455 ?
Ti1A O1A 1.963(2) 13 ?
Ti1A O1A 1.963(2) 10_556 ?
Ti1A O1A 1.963(2) 6_565 ?
Ti1A O1A 1.963(2) 2_655 ?
Ti1B Ti1B 0.56(2) 29_554 ?
Ti1B Ti1B 0.56(2) 81_455 ?
Ti1B Ti1B 0.63(3) 86 ?
Ti1B Ti1B 0.63(3) 24_565 ?
Ti1B O1B 1.09(10) 77_455 ?
Ti1B O1B 1.18(10) 9 ?
Ti1B O1B 1.24(10) 96 ?
Ti1B O1B 1.32(10) 38 ?
Ti1B O1B 1.55(10) 25_554 ?
Ti1B O1B 1.66(10) 19_565 ?
Ti1B O1A 1.659(13) 58_455 ?
Ti1B O1A 1.835(14) 61_454 ?
O1A O1B 0.84(9) 60_554 ?
O1A O1B 0.84(9) 10_545 ?
O1A Ti1B 1.659(13) 32_545 ?
O1A Ti1B 1.659(13) 79_544 ?
O1A Ti1B 1.835(14) 87_444 ?
O1A Ti1B 1.835(14) 37_444 ?
O1A Ga1 1.87(3) 59_454 ?
O1A Ga1 1.87(3) 9 ?
O1A Ti1B 1.916(16) 50_554 ?
O1A Ti1B 1.916(16) 3_545 ?
O1A Ti1A 1.963(2) 51_545 ?
O1A Ti1A 1.963(2) 2_654 ?
O1B O1A 0.84(9) 78_455 ?
O1B Ti1B 1.09(10) 57_455 ?
O1B Ti1B 1.18(10) 5 ?
O1B Ti1B 1.24(10) 48 ?
O1B O1B 1.25(17) 43 ?
O1B Ti1A 1.31(10) 73_445 ?
O1B Ti1B 1.32(10) 62 ?
O1B Ti1B 1.55(10) 25_545 ?
O1B O1B 1.65(18) 75_446 ?
O1B Ti1B 1.66(10) 19_556 ?
O1B Ga1 1.68(10) 76_455 ?
O1B Bi1 2.19(10) 76_455 ?
O2A O2B 0.59(7) . ?
O2A O2B 0.59(7) 52_454 ?
O2A O2B 0.59(7) 75_445 ?
O2A O2B 0.59(7) 26_544 ?
O2A Bi1 2.249(4) 5 ?
O2A Bi1 2.249(4) 9 ?
O2A Bi1 2.249(4) 36_544 ?
O2A Bi1 2.249(4) 54_454 ?
O2A Bi1 2.249(4) 80_445 ?
O2A Bi1 2.249(4) 26_544 ?
O2A Bi1 2.249(4) 52_454 ?
O2A Bi1 2.249(4) 82_445 ?
O2B O2B 0.96(11) 52_454 ?
O2B O2B 0.96(11) 75_445 ?
O2B O2B 0.96(11) 26_544 ?
O2B Bi1 1.67(7) 9 ?
O2B Bi1 1.67(7) 5 ?
O2B Bi1 1.72(7) 24 ?
O2B Bi1 1.72(7) 19 ?
O2B Bi1 1.72(7) 14 ?
O2B Ga1 1.90(6) 5 ?

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
Bi1 Bi1 Bi1 118.5(6) 19 14 ?
Bi1 Bi1 Ga1 73.8(13) 19 . ?
Bi1 Bi1 Ga1 163.8(12) 14 . ?
Bi1 Bi1 Bi1 95.0(3) 19 5 ?
Bi1 Bi1 Bi1 25.6(4) 14 5 ?
Ga1 Bi1 Bi1 168.8(13) . 5 ?
Bi1 Bi1 Bi1 35.8(5) 19 9 ?
Bi1 Bi1 Bi1 85.0(3) 14 9 ?
Ga1 Bi1 Bi1 109.0(13) . 9 ?
Bi1 Bi1 Bi1 59.999(1) 5 9 ?
Bi1 Bi1 Bi1 59.83(6) 19 24 ?
Bi1 Bi1 Bi1 59.82(7) 14 24 ?
Ga1 Bi1 Bi1 133.6(13) . 24 ?
Bi1 Bi1 Bi1 35.2(4) 5 24 ?
Bi1 Bi1 Bi1 25.2(3) 9 24 ?
Bi1 Bi1 Ga1 127.3(10) 19 5 ?
Bi1 Bi1 Ga1 9.2(9) 14 5 ?
Ga1 Bi1 Ga1 158(2) . 5 ?
Bi1 Bi1 Ga1 33.0(10) 5 5 ?
Bi1 Bi1 Ga1 93.0(10) 9 5 ?
Bi1 Bi1 Ga1 67.9(10) 24 5 ?
Bi1 Bi1 Ga1 40.6(5) 19 9 ?
Bi1 Bi1 Ga1 79.8(4) 14 9 ?
Ga1 Bi1 Ga1 114.1(9) . 9 ?
Bi1 Bi1 Ga1 54.8(4) 5 9 ?
Bi1 Bi1 Ga1 5.3(4) 9 9 ?
Bi1 Bi1 Ga1 19.9(4) 24 9 ?
Ga1 Bi1 Ga1 87.8(14) 5 9 ?
Bi1 Bi1 O2B 92.1(16) 19 . ?
Bi1 Bi1 O2B 88.0(11) 14 . ?
Ga1 Bi1 O2B 102.6(6) . . ?
Bi1 Bi1 O2B 78.1(5) 5 . ?
Bi1 Bi1 O2B 78.1(5) 9 . ?
Bi1 Bi1 O2B 79.7(8) 24 . ?
Ga1 Bi1 O2B 85.1(3) 5 . ?
Ga1 Bi1 O2B 78.6(5) 9 . ?
Bi1 Bi1 O2B 76.5(15) 19 14 ?
Bi1 Bi1 O2B 76.5(12) 14 14 ?
Ga1 Bi1 O2B 97.8(7) . 14 ?
Bi1 Bi1 O2B 78.4(5) 5 14 ?
Bi1 Bi1 O2B 78.4(5) 9 14 ?
Bi1 Bi1 O2B 73.2(8) 24 14 ?
Ga1 Bi1 O2B 82.7(5) 5 14 ?
Ga1 Bi1 O2B 76.8(5) 9 14 ?
O2B Bi1 O2B 152.9(11) . 14 ?
Bi1 Bi1 O1B 102(2) 19 76_455 ?
Bi1 Bi1 O1B 137(2) 14 76_455 ?
Ga1 Bi1 O1B 28(3) . 76_455 ?
Bi1 Bi1 O1B 163(2) 5 76_455 ?
Bi1 Bi1 O1B 137(2) 9 76_455 ?
Bi1 Bi1 O1B 161(2) 24 76_455 ?
Ga1 Bi1 O1B 130(2) 5 76_455 ?
Ga1 Bi1 O1B 142(2) 9 76_455 ?
O2B Bi1 O1B 105(3) . 76_455 ?
O2B Bi1 O1B 102(3) 14 76_455 ?
Bi1 Bi1 O1A 121.7(2) 19 5 ?
Bi1 Bi1 O1A 119.62(15) 14 5 ?
Ga1 Bi1 O1A 48.4(13) . 5 ?
Bi1 Bi1 O1A 142.9(4) 5 5 ?
Bi1 Bi1 O1A 154.0(4) 9 5 ?
Bi1 Bi1 O1A 173.2(8) 24 5 ?
Ga1 Bi1 O1A 111.0(10) 5 5 ?
Ga1 Bi1 O1A 159.1(5) 9 5 ?
O2B Bi1 O1A 93.5(6) . 5 ?
O2B Bi1 O1A 113.4(5) 14 5 ?
O1B Bi1 O1A 22(2) 76_455 5 ?
Bi1 Ga1 Bi1 32(3) . 19 ?
Bi1 Ga1 Bi1 6.9(4) . 14 ?
Bi1 Ga1 Bi1 38(2) 19 14 ?
Bi1 Ga1 Bi1 38(2) . 9 ?
Bi1 Ga1 Bi1 7.0(4) 19 9 ?
Bi1 Ga1 Bi1 44(2) 14 9 ?
Bi1 Ga1 Bi1 26.4(17) . 24 ?
Bi1 Ga1 Bi1 6.0(9) 19 24 ?
Bi1 Ga1 Bi1 32.2(14) 14 24 ?
Bi1 Ga1 Bi1 12.1(6) 9 24 ?
Bi1 Ga1 Bi1 6.0(9) . 5 ?
Bi1 Ga1 Bi1 26.4(17) 19 5 ?
Bi1 Ga1 Bi1 12.1(6) 14 5 ?
Bi1 Ga1 Bi1 32.2(14) 9 5 ?
Bi1 Ga1 Bi1 20.5(8) 24 5 ?
Bi1 Ga1 Ga1 46.1(13) . 9 ?
Bi1 Ga1 Ga1 14.1(12) 19 9 ?
Bi1 Ga1 Ga1 52.0(10) 14 9 ?
Bi1 Ga1 Ga1 8.1(9) 9 9 ?
Bi1 Ga1 Ga1 19.8(4) 24 9 ?
Bi1 Ga1 Ga1 40.2(4) 5 9 ?
Bi1 Ga1 Ga1 14.1(12) . 5 ?
Bi1 Ga1 Ga1 46.1(13) 19 5 ?
Bi1 Ga1 Ga1 8.1(9) 14 5 ?
Bi1 Ga1 Ga1 52.0(10) 9 5 ?
Bi1 Ga1 Ga1 40.2(4) 24 5 ?
Bi1 Ga1 Ga1 19.8(4) 5 5 ?
Ga1 Ga1 Ga1 60.000(1) 9 5 ?
Bi1 Ga1 O1B 142(3) . 76_455 ?
Bi1 Ga1 O1B 173(3) 19 76_455 ?
Bi1 Ga1 O1B 136(3) 14 76_455 ?
Bi1 Ga1 O1B 180(3) 9 76_455 ?
Bi1 Ga1 O1B 168(3) 24 76_455 ?
Bi1 Ga1 O1B 148(3) 5 76_455 ?
Ga1 Ga1 O1B 172(3) 9 76_455 ?
Ga1 Ga1 O1B 128(3) 5 76_455 ?
Bi1 Ga1 O1B 173(3) . 66_444 ?
Bi1 Ga1 O1B 142(3) 19 66_444 ?
Bi1 Ga1 O1B 180(3) 14 66_444 ?
Bi1 Ga1 O1B 136(3) 9 66_444 ?
Bi1 Ga1 O1B 148(3) 24 66_444 ?
Bi1 Ga1 O1B 168(3) 5 66_444 ?
Ga1 Ga1 O1B 128(3) 9 66_444 ?
Ga1 Ga1 O1B 172(3) 5 66_444 ?
O1B Ga1 O1B 44(6) 76_455 66_444 ?
Bi1 Ga1 O1A 149(2) . 69_454 ?
Bi1 Ga1 O1A 117.6(3) 19 69_454 ?
Bi1 Ga1 O1A 153.2(18) 14 69_454 ?
Bi1 Ga1 O1A 112.7(2) 9 69_454 ?
Bi1 Ga1 O1A 123.5(7) 24 69_454 ?
Bi1 Ga1 O1A 143.5(15) 5 69_454 ?
Ga1 Ga1 O1A 104.6(11) 9 69_454 ?
Ga1 Ga1 O1A 160.3(10) 5 69_454 ?
O1B Ga1 O1A 67(3) 76_455 69_454 ?
O1B Ga1 O1A 27(3) 66_444 69_454 ?
Bi1 Ga1 O1A 117.6(3) . 5 ?
Bi1 Ga1 O1A 149(2) 19 5 ?
Bi1 Ga1 O1A 112.7(2) 14 5 ?
Bi1 Ga1 O1A 153.2(18) 9 5 ?
Bi1 Ga1 O1A 143.5(15) 24 5 ?
Bi1 Ga1 O1A 123.5(7) 5 5 ?
Ga1 Ga1 O1A 160.3(10) 9 5 ?
Ga1 Ga1 O1A 104.6(11) 5 5 ?
O1B Ga1 O1A 27(3) 76_455 5 ?
O1B Ga1 O1A 67(3) 66_444 5 ?
O1A Ga1 O1A 93(2) 69_454 5 ?
O1B Ti1A O1B 101(5) 48_655 86_556 ?
O1B Ti1A O1B 143(8) 48_655 73 ?
O1B Ti1A O1B 112(8) 86_556 73 ?
O1B Ti1A O1B 101(5) 48_655 67_565 ?
O1B Ti1A O1B 101(5) 86_556 67_565 ?
O1B Ti1A O1B 57(7) 73 67_565 ?
O1B Ti1A O1B 57(7) 48_655 57 ?
O1B Ti1A O1B 143(8) 86_556 57 ?
O1B Ti1A O1B 101(5) 73 57 ?
O1B Ti1A O1B 112(8) 67_565 57 ?
O1B Ti1A O1B 112(8) 48_655 29 ?
O1B Ti1A O1B 57(7) 86_556 29 ?
O1B Ti1A O1B 101(5) 73 29 ?
O1B Ti1A O1B 143(8) 67_565 29 ?
O1B Ti1A O1B 101(5) 57 29 ?
O1B Ti1A O1A 82(4) 48_655 70_554 ?
O1B Ti1A O1A 109(4) 86_556 70_554 ?
O1B Ti1A O1A 71(4) 73 70_554 ?
O1B Ti1A O1A 19(4) 67_565 70_554 ?
O1B Ti1A O1A 98(4) 57 70_554 ?
O1B Ti1A O1A 161(4) 29 70_554 ?
O1B Ti1A O1A 109(4) 48_655 89_455 ?
O1B Ti1A O1A 19(4) 86_556 89_455 ?
O1B Ti1A O1A 98(4) 73 89_455 ?
O1B Ti1A O1A 82(4) 67_565 89_455 ?
O1B Ti1A O1A 161(4) 57 89_455 ?
O1B Ti1A O1A 71(4) 29 89_455 ?
O1A Ti1A O1A 92.8(2) 70_554 89_455 ?
O1B Ti1A O1A 19(4) 48_655 13 ?
O1B Ti1A O1A 82(4) 86_556 13 ?
O1B Ti1A O1A 161(4) 73 13 ?
O1B Ti1A O1A 109(4) 67_565 13 ?
O1B Ti1A O1A 71(4) 57 13 ?
O1B Ti1A O1A 98(4) 29 13 ?
O1A Ti1A O1A 92.8(2) 70_554 13 ?
O1A Ti1A O1A 92.8(2) 89_455 13 ?
O1B Ti1A O1A 98(4) 48_655 10_556 ?
O1B Ti1A O1A 71(4) 86_556 10_556 ?
O1B Ti1A O1A 109(4) 73 10_556 ?
O1B Ti1A O1A 161(4) 67_565 10_556 ?
O1B Ti1A O1A 82(4) 57 10_556 ?
O1B Ti1A O1A 19(4) 29 10_556 ?
O1A Ti1A O1A 180.0 70_554 10_556 ?
O1A Ti1A O1A 87.2(2) 89_455 10_556 ?
O1A Ti1A O1A 87.2(2) 13 10_556 ?
O1B Ti1A O1A 161(4) 48_655 6_565 ?
O1B Ti1A O1A 98(4) 86_556 6_565 ?
O1B Ti1A O1A 19(4) 73 6_565 ?
O1B Ti1A O1A 71(4) 67_565 6_565 ?
O1B Ti1A O1A 109(4) 57 6_565 ?
O1B Ti1A O1A 82(4) 29 6_565 ?
O1A Ti1A O1A 87.2(2) 70_554 6_565 ?
O1A Ti1A O1A 87.2(2) 89_455 6_565 ?
O1A Ti1A O1A 180.0 13 6_565 ?
O1A Ti1A O1A 92.8(2) 10_556 6_565 ?
O1B Ti1A O1A 71(4) 48_655 2_655 ?
O1B Ti1A O1A 161(4) 86_556 2_655 ?
O1B Ti1A O1A 82(4) 73 2_655 ?
O1B Ti1A O1A 98(4) 67_565 2_655 ?
O1B Ti1A O1A 19(4) 57 2_655 ?
O1B Ti1A O1A 109(4) 29 2_655 ?
O1A Ti1A O1A 87.2(2) 70_554 2_655 ?
O1A Ti1A O1A 180.0 89_455 2_655 ?
O1A Ti1A O1A 87.2(2) 13 2_655 ?
O1A Ti1A O1A 92.8(2) 10_556 2_655 ?
O1A Ti1A O1A 92.8(2) 6_565 2_655 ?
Ti1B Ti1B Ti1B 59.999(9) 29_554 81_455 ?
Ti1B Ti1B Ti1B 27(3) 29_554 86 ?
Ti1B Ti1B Ti1B 64(3) 81_455 86 ?
Ti1B Ti1B Ti1B 63(3) 29_554 24_565 ?
Ti1B Ti1B Ti1B 27(3) 81_455 24_565 ?
Ti1B Ti1B Ti1B 52.9(13) 86 24_565 ?
Ti1B Ti1B O1B 137(5) 29_554 77_455 ?
Ti1B Ti1B O1B 85(6) 81_455 77_455 ?
Ti1B Ti1B O1B 148(5) 86 77_455 ?
Ti1B Ti1B O1B 96(5) 24_565 77_455 ?
Ti1B Ti1B O1B 67(5) 29_554 9 ?
Ti1B Ti1B O1B 122(5) 81_455 9 ?
Ti1B Ti1B O1B 80(5) 86 9 ?
Ti1B Ti1B O1B 130(5) 24_565 9 ?
O1B Ti1B O1B 125(7) 77_455 9 ?
Ti1B Ti1B O1B 85(5) 29_554 96 ?
Ti1B Ti1B O1B 131(5) 81_455 96 ?
Ti1B Ti1B O1B 70(5) 86 96 ?
Ti1B Ti1B O1B 108(5) 24_565 96 ?
O1B Ti1B O1B 137(9) 77_455 96 ?
O1B Ti1B O1B 62(8) 9 96 ?
Ti1B Ti1B O1B 118(4) 29_554 38 ?
Ti1B Ti1B O1B 69(5) 81_455 38 ?
Ti1B Ti1B O1B 100(4) 86 38 ?
Ti1B Ti1B O1B 55(4) 24_565 38 ?
O1B Ti1B O1B 62(8) 77_455 38 ?
O1B Ti1B O1B 166(5) 9 38 ?
O1B Ti1B O1B 104(7) 96 38 ?
Ti1B Ti1B O1B 40(4) 29_554 25_554 ?
Ti1B Ti1B O1B 28(4) 81_455 25_554 ?
Ti1B Ti1B O1B 57(4) 86 25_554 ?
Ti1B Ti1B O1B 49(4) 24_565 25_554 ?
O1B Ti1B O1B 98(4) 77_455 25_554 ?
O1B Ti1B O1B 94(4) 9 25_554 ?
O1B Ti1B O1B 125(7) 96 25_554 ?
O1B Ti1B O1B 98(7) 38 25_554 ?
Ti1B Ti1B O1B 35(3) 29_554 19_565 ?
Ti1B Ti1B O1B 44(4) 81_455 19_565 ?
Ti1B Ti1B O1B 21(3) 86 19_565 ?
Ti1B Ti1B O1B 33(3) 24_565 19_565 ?
O1B Ti1B O1B 127(8) 77_455 19_565 ?
O1B Ti1B O1B 98(8) 9 19_565 ?
O1B Ti1B O1B 87(5) 96 19_565 ?
O1B Ti1B O1B 84(4) 38 19_565 ?
O1B Ti1B O1B 46(6) 25_554 19_565 ?
Ti1B Ti1B O1A 145.1(6) 29_554 58_455 ?
Ti1B Ti1B O1A 109(3) 81_455 58_455 ?
Ti1B Ti1B O1A 171(3) 86 58_455 ?
Ti1B Ti1B O1A 123.1(12) 24_565 58_455 ?
O1B Ti1B O1A 27(5) 77_455 58_455 ?
O1B Ti1B O1A 101(5) 9 58_455 ?
O1B Ti1B O1A 119(4) 96 58_455 ?
O1B Ti1B O1A 82(4) 38 58_455 ?
O1B Ti1B O1A 114(3) 25_554 58_455 ?
O1B Ti1B O1A 153(3) 19_565 58_455 ?
Ti1B Ti1B O1A 107(2) 29_554 61_454 ?
Ti1B Ti1B O1A 137.9(5) 81_455 61_454 ?
Ti1B Ti1B O1A 88(2) 86 61_454 ?
Ti1B Ti1B O1A 111(3) 24_565 61_454 ?
O1B Ti1B O1A 115(5) 77_455 61_454 ?
O1B Ti1B O1A 78(4) 9 61_454 ?
O1B Ti1B O1A 23(4) 96 61_454 ?
O1B Ti1B O1A 87(4) 38 61_454 ?
O1B Ti1B O1A 145(3) 25_554 61_454 ?
O1B Ti1B O1A 101(3) 19_565 61_454 ?
O1A Ti1B O1A 101.6(7) 58_455 61_454 ?
O1B O1A O1B 156(10) 60_554 10_545 ?
O1B O1A Ti1B 132(6) 60_554 32_545 ?
O1B O1A Ti1B 36(7) 10_545 32_545 ?
O1B O1A Ti1B 36(7) 60_554 79_544 ?
O1B O1A Ti1B 132(6) 10_545 79_544 ?
Ti1B O1A Ti1B 139.7(11) 32_545 79_544 ?
O1B O1A Ti1B 137(6) 60_554 87_444 ?
O1B O1A Ti1B 35(7) 10_545 87_444 ?
Ti1B O1A Ti1B 7.4(9) 32_545 87_444 ?
Ti1B O1A Ti1B 147.1(6) 79_544 87_444 ?
O1B O1A Ti1B 35(7) 60_554 37_444 ?
O1B O1A Ti1B 137(6) 10_545 37_444 ?
Ti1B O1A Ti1B 147.1(6) 32_545 37_444 ?
Ti1B O1A Ti1B 7.4(9) 79_544 37_444 ?
Ti1B O1A Ti1B 154.4(10) 87_444 37_444 ?
O1B O1A Ga1 135(6) 60_554 59_454 ?
O1B O1A Ga1 64(6) 10_545 59_454 ?
Ti1B O1A Ga1 93.2(12) 32_545 59_454 ?
Ti1B O1A Ga1 112.7(10) 79_544 59_454 ?
Ti1B O1A Ga1 87.7(12) 87_444 59_454 ?
Ti1B O1A Ga1 108.9(10) 37_444 59_454 ?
O1B O1A Ga1 64(6) 60_554 9 ?
O1B O1A Ga1 135(6) 10_545 9 ?
Ti1B O1A Ga1 112.7(10) 32_545 9 ?
Ti1B O1A Ga1 93.2(12) 79_544 9 ?
Ti1B O1A Ga1 108.9(10) 87_444 9 ?
Ti1B O1A Ga1 87.7(12) 37_444 9 ?
Ga1 O1A Ga1 100.3(11) 59_454 9 ?
O1B O1A Ti1B 22(7) 60_554 50_554 ?
O1B O1A Ti1B 138(6) 10_545 50_554 ?
Ti1B O1A Ti1B 132.3(9) 32_545 50_554 ?
Ti1B O1A Ti1B 16.1(7) 79_544 50_554 ?
Ti1B O1A Ti1B 139.4(6) 87_444 50_554 ?
Ti1B O1A Ti1B 19.2(8) 37_444 50_554 ?
Ga1 O1A Ti1B 128.0(10) 59_454 50_554 ?
Ga1 O1A Ti1B 85.4(11) 9 50_554 ?
O1B O1A Ti1B 138(6) 60_554 3_545 ?
O1B O1A Ti1B 22(7) 10_545 3_545 ?
Ti1B O1A Ti1B 16.1(7) 32_545 3_545 ?
Ti1B O1A Ti1B 132.3(9) 79_544 3_545 ?
Ti1B O1A Ti1B 19.2(8) 87_444 3_545 ?
Ti1B O1A Ti1B 139.4(6) 37_444 3_545 ?
Ga1 O1A Ti1B 85.4(11) 59_454 3_545 ?
Ga1 O1A Ti1B 128.0(10) 9 3_545 ?
Ti1B O1A Ti1B 130.6(9) 50_554 3_545 ?
O1B O1A Ti1A 135(6) 60_554 51_545 ?
O1B O1A Ti1A 30(7) 10_545 51_545 ?
Ti1B O1A Ti1A 5.7(5) 32_545 51_545 ?
Ti1B O1A Ti1A 138.0(6) 79_544 51_545 ?
Ti1B O1A Ti1A 10.0(4) 87_444 51_545 ?
Ti1B O1A Ti1A 145.4(6) 37_444 51_545 ?
Ga1 O1A Ti1A 89.9(11) 59_454 51_545 ?
Ga1 O1A Ti1A 118.0(9) 9 51_545 ?
Ti1B O1A Ti1A 132.7(5) 50_554 51_545 ?
Ti1B O1A Ti1A 10.4(4) 3_545 51_545 ?
O1B O1A Ti1A 30(7) 60_554 2_654 ?
O1B O1A Ti1A 135(6) 10_545 2_654 ?
Ti1B O1A Ti1A 138.0(6) 32_545 2_654 ?
Ti1B O1A Ti1A 5.7(5) 79_544 2_654 ?
Ti1B O1A Ti1A 145.4(6) 87_444 2_654 ?
Ti1B O1A Ti1A 10.0(4) 37_444 2_654 ?
Ga1 O1A Ti1A 118.0(9) 59_454 2_654 ?
Ga1 O1A Ti1A 89.9(11) 9 2_654 ?
Ti1B O1A Ti1A 10.4(4) 50_554 2_654 ?
Ti1B O1A Ti1A 132.7(5) 3_545 2_654 ?
Ti1A O1A Ti1A 137.1(3) 51_545 2_654 ?
O1A O1B Ti1B 117(10) 78_455 57_455 ?
O1A O1B Ti1B 142(10) 78_455 5 ?
Ti1B O1B Ti1B 28(3) 57_455 5 ?
O1A O1B Ti1B 122(10) 78_455 48 ?
Ti1B O1B Ti1B 12.1(19) 57_455 48 ?
Ti1B O1B Ti1B 30(3) 5 48 ?
O1A O1B O1B 140(10) 78_455 43 ?
Ti1B O1B O1B 68(5) 57_455 43 ?
Ti1B O1B O1B 61(5) 5 43 ?
Ti1B O1B O1B 57(4) 48 43 ?
O1A O1B Ti1A 130(10) 78_455 73_445 ?
Ti1B O1B Ti1A 13.5(15) 57_455 73_445 ?
Ti1B O1B Ti1A 15.3(14) 5 73_445 ?
Ti1B O1B Ti1A 15.7(13) 48 73_445 ?
O1B O1B Ti1A 61(4) 43 73_445 ?
O1A O1B Ti1B 146(10) 78_455 62 ?
Ti1B O1B Ti1B 28(3) 57_455 62 ?
Ti1B O1B Ti1B 11.5(16) 5 62 ?
Ti1B O1B Ti1B 25(2) 48 62 ?
O1B O1B Ti1B 50(4) 43 62 ?
Ti1A O1B Ti1B 15.5(12) 73_445 62 ?
O1A O1B Ti1B 124(9) 78_455 25_545 ?
Ti1B O1B Ti1B 14(2) 57_455 25_545 ?
Ti1B O1B Ti1B 17.9(19) 5 25_545 ?
Ti1B O1B Ti1B 23(2) 48 25_545 ?
O1B O1B Ti1B 72(3) 43 25_545 ?
Ti1A O1B Ti1B 10.3(11) 73_445 25_545 ?
Ti1B O1B Ti1B 24(2) 62 25_545 ?
O1A O1B O1B 12(6) 78_455 75_446 ?
Ti1B O1B O1B 113(9) 57_455 75_446 ?
Ti1B O1B O1B 134(8) 5 75_446 ?
Ti1B O1B O1B 121(9) 48 75_446 ?
O1B O1B O1B 151(10) 43 75_446 ?
Ti1A O1B O1B 125(9) 73_445 75_446 ?
Ti1B O1B O1B 140(9) 62 75_446 ?
Ti1B O1B O1B 117(7) 25_545 75_446 ?
O1A O1B Ti1B 129(9) 78_455 19_556 ?
Ti1B O1B Ti1B 11.7(19) 57_455 19_556 ?
Ti1B O1B Ti1B 16.9(19) 5 19_556 ?
Ti1B O1B Ti1B 14.9(16) 48 19_556 ?
O1B O1B Ti1B 63(3) 43 19_556 ?
Ti1A O1B Ti1B 1.9(10) 73_445 19_556 ?
Ti1B O1B Ti1B 17.4(16) 62 19_556 ?
Ti1B O1B Ti1B 9.5(12) 25_545 19_556 ?
O1B O1B Ti1B 123(8) 75_446 19_556 ?
O1A O1B Ga1 89(7) 78_455 76_455 ?
Ti1B O1B Ga1 134(7) 57_455 76_455 ?
Ti1B O1B Ga1 127(6) 5 76_455 ?
Ti1B O1B Ga1 122(6) 48 76_455 ?
O1B O1B Ga1 68(3) 43 76_455 ?
Ti1A O1B Ga1 130(6) 73_445 76_455 ?
Ti1B O1B Ga1 117(6) 62 76_455 ?
Ti1B O1B Ga1 140(6) 25_545 76_455 ?
O1B O1B Ga1 99(5) 75_446 76_455 ?
Ti1B O1B Ga1 131(5) 19_556 76_455 ?
O1A O1B Bi1 80(7) 78_455 76_455 ?
Ti1B O1B Bi1 143(6) 57_455 76_455 ?
Ti1B O1B Bi1 136(6) 5 76_455 ?
Ti1B O1B Bi1 131(6) 48 76_455 ?
O1B O1B Bi1 78(2) 43 76_455 ?
Ti1A O1B Bi1 139(6) 73_445 76_455 ?
Ti1B O1B Bi1 127(5) 62 76_455 ?
Ti1B O1B Bi1 150(5) 25_545 76_455 ?
O1B O1B Bi1 90(5) 75_446 76_455 ?
Ti1B O1B Bi1 140(5) 19_556 76_455 ?
Ga1 O1B Bi1 9.8(11) 76_455 76_455 ?
O2B O2A O2B 109.471(10) . 52_454 ?
O2B O2A O2B 109.471(6) . 75_445 ?
O2B O2A O2B 109.471(6) 52_454 75_445 ?
O2B O2A O2B 109.471(4) . 26_544 ?
O2B O2A O2B 109.471(9) 52_454 26_544 ?
O2B O2A O2B 109.471(8) 75_445 26_544 ?
O2B O2A Bi1 10.19(7) . 5 ?
O2B O2A Bi1 115.07(6) 52_454 5 ?
O2B O2A Bi1 113.49(6) 75_445 5 ?
O2B O2A Bi1 99.32(6) 26_544 5 ?
O2B O2A Bi1 10.19(7) . 9 ?
O2B O2A Bi1 99.32(6) 52_454 9 ?
O2B O2A Bi1 115.07(6) 75_445 9 ?
O2B O2A Bi1 113.49(6) 26_544 9 ?
Bi1 O2A Bi1 17.62(10) 5 9 ?
O2B O2A Bi1 113.49(6) . 36_544 ?
O2B O2A Bi1 115.07(6) 52_454 36_544 ?
O2B O2A Bi1 99.32(6) 75_445 36_544 ?
O2B O2A Bi1 10.19(7) 26_544 36_544 ?
Bi1 O2A Bi1 103.33(8) 5 36_544 ?
Bi1 O2A Bi1 119.04(12) 9 36_544 ?
O2B O2A Bi1 115.07(6) . 54_454 ?
O2B O2A Bi1 10.19(7) 52_454 54_454 ?
O2B O2A Bi1 99.32(6) 75_445 54_454 ?
O2B O2A Bi1 113.49(6) 26_544 54_454 ?
Bi1 O2A Bi1 121.93(13) 5 54_454 ?
Bi1 O2A Bi1 105.18(7) 9 54_454 ?
Bi1 O2A Bi1 117.43(3) 36_544 54_454 ?
O2B O2A Bi1 113.49(6) . 80_445 ?
O2B O2A Bi1 99.32(6) 52_454 80_445 ?
O2B O2A Bi1 10.19(7) 75_445 80_445 ?
O2B O2A Bi1 115.07(6) 26_544 80_445 ?
Bi1 O2A Bi1 119.04(12) 5 80_445 ?
Bi1 O2A Bi1 117.43(3) 9 80_445 ?
Bi1 O2A Bi1 105.18(7) 36_544 80_445 ?
Bi1 O2A Bi1 89.18(12) 54_454 80_445 ?
O2B O2A Bi1 115.07(6) . 26_544 ?
O2B O2A Bi1 99.32(6) 52_454 26_544 ?
O2B O2A Bi1 113.49(6) 75_445 26_544 ?
O2B O2A Bi1 10.19(7) 26_544 26_544 ?
Bi1 O2A Bi1 105.18(7) 5 26_544 ?
Bi1 O2A Bi1 117.43(3) 9 26_544 ?
Bi1 O2A Bi1 17.62(10) 36_544 26_544 ?
Bi1 O2A Bi1 103.33(8) 54_454 26_544 ?
Bi1 O2A Bi1 117.43(3) 80_445 26_544 ?
O2B O2A Bi1 113.49(6) . 52_454 ?
O2B O2A Bi1 10.19(7) 52_454 52_454 ?
O2B O2A Bi1 115.07(6) 75_445 52_454 ?
O2B O2A Bi1 99.32(6) 26_544 52_454 ?
Bi1 O2A Bi1 117.43(3) 5 52_454 ?
Bi1 O2A Bi1 103.33(8) 9 52_454 ?
Bi1 O2A Bi1 105.18(7) 36_544 52_454 ?
Bi1 O2A Bi1 17.62(10) 54_454 52_454 ?
Bi1 O2A Bi1 105.18(7) 80_445 52_454 ?
Bi1 O2A Bi1 89.18(12) 26_544 52_454 ?
O2B O2A Bi1 115.07(6) . 82_445 ?
O2B O2A Bi1 113.49(6) 52_454 82_445 ?
O2B O2A Bi1 10.19(7) 75_445 82_445 ?
O2B O2A Bi1 99.32(6) 26_544 82_445 ?
Bi1 O2A Bi1 117.43(3) 5 82_445 ?
Bi1 O2A Bi1 121.93(13) 9 82_445 ?
Bi1 O2A Bi1 89.18(12) 36_544 82_445 ?
Bi1 O2A Bi1 103.33(8) 54_454 82_445 ?
Bi1 O2A Bi1 17.62(10) 80_445 82_445 ?
Bi1 O2A Bi1 103.33(8) 26_544 82_445 ?
Bi1 O2A Bi1 117.43(3) 52_454 82_445 ?
O2A O2B O2B 35.266(6) . 52_454 ?
O2A O2B O2B 35.266(1) . 75_445 ?
O2B O2B O2B 60.002(10) 52_454 75_445 ?
O2A O2B O2B 35.266(3) . 26_544 ?
O2B O2B O2B 60.002(10) 52_454 26_544 ?
O2B O2B O2B 60.002(11) 75_445 26_544 ?
O2A O2B Bi1 166.2(6) . 9 ?
O2B O2B Bi1 131.0(6) 52_454 9 ?
O2B O2B Bi1 150.67(17) 75_445 9 ?
O2B O2B Bi1 148.33(10) 26_544 9 ?
O2A O2B Bi1 166.2(6) . 5 ?
O2B O2B Bi1 150.67(17) 52_454 5 ?
O2B O2B Bi1 148.33(10) 75_445 5 ?
O2B O2B Bi1 131.0(6) 26_544 5 ?
Bi1 O2B Bi1 23.8(10) 9 5 ?
O2A O2B Bi1 166.2(6) . . ?
O2B O2B Bi1 148.33(10) 52_454 . ?
O2B O2B Bi1 131.0(6) 75_445 . ?
O2B O2B Bi1 150.67(17) 26_544 . ?
Bi1 O2B Bi1 23.8(10) 9 . ?
Bi1 O2B Bi1 23.8(10) 5 . ?
O2A O2B Bi1 166.6(5) . 24 ?
O2B O2B Bi1 135.9(4) 52_454 24 ?
O2B O2B Bi1 158.0(5) 75_445 24 ?
O2B O2B Bi1 137.6(3) 26_544 24 ?
Bi1 O2B Bi1 11.4(5) 9 24 ?
Bi1 O2B Bi1 15.5(6) 5 24 ?
Bi1 O2B Bi1 27.0(11) . 24 ?
O2A O2B Bi1 166.6(5) . 19 ?
O2B O2B Bi1 137.6(3) 52_454 19 ?
O2B O2B Bi1 135.9(4) 75_445 19 ?
O2B O2B Bi1 158.0(5) 26_544 19 ?
Bi1 O2B Bi1 15.5(6) 9 19 ?
Bi1 O2B Bi1 27.0(11) 5 19 ?
Bi1 O2B Bi1 11.4(5) . 19 ?
Bi1 O2B Bi1 23.1(9) 24 19 ?
O2A O2B Bi1 166.6(5) . 14 ?
O2B O2B Bi1 158.0(5) 52_454 14 ?
O2B O2B Bi1 137.6(3) 75_445 14 ?
O2B O2B Bi1 135.9(4) 26_544 14 ?
Bi1 O2B Bi1 27.0(11) 9 14 ?
Bi1 O2B Bi1 11.4(5) 5 14 ?
Bi1 O2B Bi1 15.5(6) . 14 ?
Bi1 O2B Bi1 23.1(9) 24 14 ?
Bi1 O2B Bi1 23.1(9) 19 14 ?
O2A O2B Ga1 150.2(16) . . ?
O2B O2B Ga1 135.1(9) 52_454 . ?
O2B O2B Ga1 117.4(15) 75_445 . ?
O2B O2B Ga1 163.14(17) 26_544 . ?
Bi1 O2B Ga1 33.7(16) 9 . ?
Bi1 O2B Ga1 41.8(19) 5 . ?
Bi1 O2B Ga1 18.2(13) . . ?
Bi1 O2B Ga1 41.4(19) 24 . ?
Bi1 O2B Ga1 18.5(13) 19 . ?
Bi1 O2B Ga1 33.5(16) 14 . ?
O2A O2B Ga1 150.2(16) . 5 ?
O2B O2B Ga1 163.14(17) 52_454 5 ?
O2B O2B Ga1 135.1(9) 75_445 5 ?
O2B O2B Ga1 117.4(15) 26_544 5 ?
Bi1 O2B Ga1 41.8(19) 9 5 ?
Bi1 O2B Ga1 18.2(13) 5 5 ?
Bi1 O2B Ga1 33.7(16) . 5 ?
Bi1 O2B Ga1 33.5(16) 24 5 ?
Bi1 O2B Ga1 41.4(19) 19 5 ?
Bi1 O2B Ga1 18.5(13) 14 5 ?
Ga1 O2B Ga1 51(3) . 5 ?

