# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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. 
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data_BaBiPbEuBO
_database_code_depnum_ccdc_archive 'CCDC 2164656'
loop_
_audit_author_name
_audit_author_address
'Xuean Chen'
;Beijing University of Technology
China
;
_audit_update_record             
;
2022-04-06 deposited with the CCDC.	2022-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B4 Ba3 Bi Eu O13 Pb'
_chemical_formula_weight         1231.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
Ba Ba -0.3244 2.2819 '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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_H-M_alt        'P 63/m m c'
_space_group_name_Hall           '-P 6c 2c'

_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'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'

_cell_length_a                   5.4305(1)
_cell_length_b                   5.4305(1)
_cell_length_c                   26.3501(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     672.96(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    289.9(8)
_cell_measurement_reflns_used    11896
_cell_measurement_theta_min      4.3170
_cell_measurement_theta_max      36.3240

_exptl_absorpt_correction_T_min  0.34088
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.613
_oxdiff_exptl_absorpt_empirical_full_max 2.082
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    6.077
_exptl_crystal_F_000             1040


_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    38.783

_diffrn_ambient_temperature      289.9(8)
_diffrn_ambient_environment      air
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_detector_area_resol_mean 10.3376

_diffrn_reflns_number            26123
_diffrn_reflns_av_unetI/netI     0.0095
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         4.334
_diffrn_reflns_theta_max         30.949
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             471
_reflns_number_gt                444
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'


_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0254P)²+47.6921P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0027(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         471
_refine_ls_number_parameters     32
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0507
_refine_ls_wR_factor_ref         0.1069
_refine_ls_wR_factor_gt          0.1060
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_restrained_S_all      1.142
_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_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
Eu1 Eu 0.000000 0.000000 0.000000 0.0074(3) Uani 1 12 d S T P . .
Ba1 Ba 0.666667 0.333333 0.08912(4) 0.0138(3) Uani 1 6 d S T P . .
Ba2 Ba 0.666667 0.333333 0.250000 0.0213(5) Uani 1 12 d S T P . .
Bi1 Bi 0.000000 0.000000 0.16879(4) 0.0377(4) Uani 0.5 6 d S T P . .
Pb1 Pb 0.000000 0.000000 0.16879(4) 0.0377(4) Uani 0.5 6 d S T P . .
B1 B 0.333333 0.666667 0.0541(9) 0.015(3) Uani 1 6 d S TU P . .
B2 B 0.333333 0.666667 0.1722(8) 0.013(3) Uani 1 6 d S TU P . .
O1 O 0.1875(11) 0.375(2) 0.0548(4) 0.0208(18) Uani 1 2 d S TU P . .
O2 O 0.039(2) 0.5195(12) 0.1720(3) 0.024(2) Uani 1 2 d S TU P . .
O3 O 0.000000 0.000000 0.250000 0.021(4) Uani 1 12 d S TU 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
Eu1 O1 2.279(10) 15 ?
Eu1 O1 2.279(10) 3 ?
Eu1 O1 2.279(10) . ?
Eu1 O1 2.279(10) 13 ?
Eu1 O1 2.279(10) 14 ?
Eu1 O1 2.279(10) 2 ?
Eu1 Ba1 3.9172(7) 13 ?
Eu1 Ba1 3.9172(7) 1_445 ?
Eu1 Ba1 3.9172(7) 13_665 ?
Eu1 Ba1 3.9172(7) 1_455 ?
Eu1 Ba1 3.9172(7) 13_655 ?
Eu1 Ba1 3.9173(7) . ?
Ba1 O2 2.798(10) 1_655 ?
Ba1 O2 2.798(10) 3 ?
Ba1 O2 2.798(10) 2_665 ?
Ba1 O1 2.869(3) 2_655 ?
Ba1 O1 2.869(3) 1_655 ?
Ba1 O1 2.869(3) 3 ?
Ba1 O1 2.869(3) 3_665 ?
Ba1 O1 2.869(3) . ?
Ba1 O1 2.869(3) 2_665 ?
Ba1 B1 3.268(7) 1_545 ?
Ba1 B1 3.268(7) 1_655 ?
Ba1 B1 3.268(7) . ?
Ba2 O2 2.701(10) 16_656 ?
Ba2 O2 2.701(10) 3 ?
Ba2 O2 2.701(10) 18_556 ?
Ba2 O2 2.701(10) 1_655 ?
Ba2 O2 2.701(10) 17_666 ?
Ba2 O2 2.701(10) 2_665 ?
Ba2 O3 3.13530(6) 1_655 ?
Ba2 O3 3.13530(6) . ?
Ba2 O3 3.13530(6) 1_665 ?
Ba2 Bi1 3.7959(6) 16_656 ?
Ba2 Bi1 3.7959(6) 16_666 ?
Ba2 Bi1 3.7959(6) 1_655 ?
Bi1 O3 2.1399(11) . ?
Bi1 O2 2.7228(8) 2 ?
Bi1 O2 2.7228(8) 3 ?
Bi1 O2 2.7228(8) . ?
Bi1 O2 2.7228(8) 2_665 ?
Bi1 O2 2.7228(8) 3_455 ?
Bi1 O2 2.7228(8) 1_545 ?
B1 O1 1.372(11) 2_665 ?
B1 O1 1.372(11) . ?
B1 O1 1.372(11) 3_565 ?
B2 O2 1.384(11) . ?
B2 O2 1.384(11) 3_565 ?
B2 O2 1.384(11) 2_665 ?

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
O1 Eu1 O1 180.0(8) 15 3 ?
O1 Eu1 O1 95.9(4) 15 . ?
O1 Eu1 O1 84.1(4) 3 . ?
O1 Eu1 O1 84.1(4) 15 13 ?
O1 Eu1 O1 95.9(4) 3 13 ?
O1 Eu1 O1 180.0(8) . 13 ?
O1 Eu1 O1 84.1(4) 15 14 ?
O1 Eu1 O1 95.9(4) 3 14 ?
O1 Eu1 O1 95.9(4) . 14 ?
O1 Eu1 O1 84.1(4) 13 14 ?
O1 Eu1 O1 95.9(4) 15 2 ?
O1 Eu1 O1 84.1(4) 3 2 ?
O1 Eu1 O1 84.1(4) . 2 ?
O1 Eu1 O1 95.9(4) 13 2 ?
O1 Eu1 O1 180.0(8) 14 2 ?
O1 Eu1 Ba1 46.42(7) 15 13 ?
O1 Eu1 Ba1 133.58(7) 3 13 ?
O1 Eu1 Ba1 133.59(7) . 13 ?
O1 Eu1 Ba1 46.42(7) 13 13 ?
O1 Eu1 Ba1 103.9(3) 14 13 ?
O1 Eu1 Ba1 76.1(3) 2 13 ?
O1 Eu1 Ba1 133.58(7) 15 1_445 ?
O1 Eu1 Ba1 46.41(7) 3 1_445 ?
O1 Eu1 Ba1 103.9(3) . 1_445 ?
O1 Eu1 Ba1 76.1(3) 13 1_445 ?
O1 Eu1 Ba1 133.58(7) 14 1_445 ?
O1 Eu1 Ba1 46.42(7) 2 1_445 ?
Ba1 Eu1 Ba1 92.24(2) 13 1_445 ?
O1 Eu1 Ba1 46.41(7) 15 13_665 ?
O1 Eu1 Ba1 133.58(7) 3 13_665 ?
O1 Eu1 Ba1 76.1(3) . 13_665 ?
O1 Eu1 Ba1 103.9(3) 13 13_665 ?
O1 Eu1 Ba1 46.42(7) 14 13_665 ?
O1 Eu1 Ba1 133.58(7) 2 13_665 ?
Ba1 Eu1 Ba1 87.76(2) 13 13_665 ?
Ba1 Eu1 Ba1 180.00(3) 1_445 13_665 ?
O1 Eu1 Ba1 76.1(3) 15 1_455 ?
O1 Eu1 Ba1 103.9(3) 3 1_455 ?
O1 Eu1 Ba1 46.42(7) . 1_455 ?
O1 Eu1 Ba1 133.59(7) 13 1_455 ?
O1 Eu1 Ba1 133.59(7) 14 1_455 ?
O1 Eu1 Ba1 46.41(7) 2 1_455 ?
Ba1 Eu1 Ba1 92.24(2) 13 1_455 ?
Ba1 Eu1 Ba1 87.76(2) 1_445 1_455 ?
Ba1 Eu1 Ba1 92.24(2) 13_665 1_455 ?
O1 Eu1 Ba1 103.9(3) 15 13_655 ?
O1 Eu1 Ba1 76.1(3) 3 13_655 ?
O1 Eu1 Ba1 133.58(7) . 13_655 ?
O1 Eu1 Ba1 46.41(7) 13 13_655 ?
O1 Eu1 Ba1 46.41(7) 14 13_655 ?
O1 Eu1 Ba1 133.59(7) 2 13_655 ?
Ba1 Eu1 Ba1 87.76(2) 13 13_655 ?
Ba1 Eu1 Ba1 92.24(2) 1_445 13_655 ?
Ba1 Eu1 Ba1 87.76(2) 13_665 13_655 ?
Ba1 Eu1 Ba1 180.00(3) 1_455 13_655 ?
O1 Eu1 Ba1 133.59(7) 15 . ?
O1 Eu1 Ba1 46.41(7) 3 . ?
O1 Eu1 Ba1 46.41(7) . . ?
O1 Eu1 Ba1 133.58(7) 13 . ?
O1 Eu1 Ba1 76.1(3) 14 . ?
O1 Eu1 Ba1 103.9(3) 2 . ?
Ba1 Eu1 Ba1 180.0 13 . ?
Ba1 Eu1 Ba1 87.76(2) 1_445 . ?
Ba1 Eu1 Ba1 92.24(2) 13_665 . ?
Ba1 Eu1 Ba1 87.76(2) 1_455 . ?
Ba1 Eu1 Ba1 92.24(2) 13_655 . ?
O2 Ba1 O2 65.6(3) 1_655 3 ?
O2 Ba1 O2 65.6(3) 1_655 2_665 ?
O2 Ba1 O2 65.6(3) 3 2_665 ?
O2 Ba1 O1 106.8(2) 1_655 2_655 ?
O2 Ba1 O1 73.2(3) 3 2_655 ?
O2 Ba1 O1 137.5(2) 2_665 2_655 ?
O2 Ba1 O1 73.2(3) 1_655 1_655 ?
O2 Ba1 O1 106.8(2) 3 1_655 ?
O2 Ba1 O1 137.5(2) 2_665 1_655 ?
O1 Ba1 O1 64.3(4) 2_655 1_655 ?
O2 Ba1 O1 137.5(2) 1_655 3 ?
O2 Ba1 O1 73.2(3) 3 3 ?
O2 Ba1 O1 106.8(2) 2_665 3 ?
O1 Ba1 O1 48.9(4) 2_655 3 ?
O1 Ba1 O1 110.54(17) 1_655 3 ?
O2 Ba1 O1 73.2(3) 1_655 3_665 ?
O2 Ba1 O1 137.5(2) 3 3_665 ?
O2 Ba1 O1 106.8(2) 2_665 3_665 ?
O1 Ba1 O1 110.54(17) 2_655 3_665 ?
O1 Ba1 O1 48.9(4) 1_655 3_665 ?
O1 Ba1 O1 142.4(4) 3 3_665 ?
O2 Ba1 O1 137.5(2) 1_655 . ?
O2 Ba1 O1 106.8(2) 3 . ?
O2 Ba1 O1 73.2(3) 2_665 . ?
O1 Ba1 O1 110.54(17) 2_655 . ?
O1 Ba1 O1 142.4(4) 1_655 . ?
O1 Ba1 O1 64.3(4) 3 . ?
O1 Ba1 O1 110.54(17) 3_665 . ?
O2 Ba1 O1 106.8(2) 1_655 2_665 ?
O2 Ba1 O1 137.5(2) 3 2_665 ?
O2 Ba1 O1 73.2(3) 2_665 2_665 ?
O1 Ba1 O1 142.4(4) 2_655 2_665 ?
O1 Ba1 O1 110.54(17) 1_655 2_665 ?
O1 Ba1 O1 110.54(17) 3 2_665 ?
O1 Ba1 O1 64.3(4) 3_665 2_665 ?
O1 Ba1 O1 48.9(4) . 2_665 ?
O2 Ba1 B1 121.3(3) 1_655 1_545 ?
O2 Ba1 B1 67.6(4) 3 1_545 ?
O2 Ba1 B1 121.3(3) 2_665 1_545 ?
O1 Ba1 B1 24.8(2) 2_655 1_545 ?
O1 Ba1 B1 88.7(2) 1_655 1_545 ?
O1 Ba1 B1 24.8(2) 3 1_545 ?
O1 Ba1 B1 131.7(3) 3_665 1_545 ?
O1 Ba1 B1 88.7(2) . 1_545 ?
O1 Ba1 B1 131.7(3) 2_665 1_545 ?
O2 Ba1 B1 67.6(4) 1_655 1_655 ?
O2 Ba1 B1 121.3(3) 3 1_655 ?
O2 Ba1 B1 121.3(3) 2_665 1_655 ?
O1 Ba1 B1 88.7(2) 2_655 1_655 ?
O1 Ba1 B1 24.8(2) 1_655 1_655 ?
O1 Ba1 B1 131.7(3) 3 1_655 ?
O1 Ba1 B1 24.8(2) 3_665 1_655 ?
O1 Ba1 B1 131.7(3) . 1_655 ?
O1 Ba1 B1 88.7(2) 2_665 1_655 ?
B1 Ba1 B1 112.4(3) 1_545 1_655 ?
O2 Ba1 B1 121.3(3) 1_655 . ?
O2 Ba1 B1 121.3(3) 3 . ?
O2 Ba1 B1 67.6(4) 2_665 . ?
O1 Ba1 B1 131.7(3) 2_655 . ?
O1 Ba1 B1 131.7(3) 1_655 . ?
O1 Ba1 B1 88.7(2) 3 . ?
O1 Ba1 B1 88.7(2) 3_665 . ?
O1 Ba1 B1 24.8(2) . . ?
O1 Ba1 B1 24.8(2) 2_665 . ?
B1 Ba1 B1 112.4(3) 1_545 . ?
B1 Ba1 B1 112.4(3) 1_655 . ?
O2 Ba2 O2 142.17(18) 16_656 3 ?
O2 Ba2 O2 68.3(3) 16_656 18_556 ?
O2 Ba2 O2 99.2(4) 3 18_556 ?
O2 Ba2 O2 99.2(4) 16_656 1_655 ?
O2 Ba2 O2 68.3(3) 3 1_655 ?
O2 Ba2 O2 142.17(18) 18_556 1_655 ?
O2 Ba2 O2 68.3(3) 16_656 17_666 ?
O2 Ba2 O2 142.17(17) 3 17_666 ?
O2 Ba2 O2 68.3(3) 18_556 17_666 ?
O2 Ba2 O2 142.17(17) 1_655 17_666 ?
O2 Ba2 O2 142.17(17) 16_656 2_665 ?
O2 Ba2 O2 68.3(3) 3 2_665 ?
O2 Ba2 O2 142.17(17) 18_556 2_665 ?
O2 Ba2 O2 68.3(3) 1_655 2_665 ?
O2 Ba2 O2 99.2(4) 17_666 2_665 ?
O2 Ba2 O3 71.08(9) 16_656 1_655 ?
O2 Ba2 O3 71.08(9) 3 1_655 ?
O2 Ba2 O3 71.08(9) 18_556 1_655 ?
O2 Ba2 O3 71.08(9) 1_655 1_655 ?
O2 Ba2 O3 130.4(2) 17_666 1_655 ?
O2 Ba2 O3 130.4(2) 2_665 1_655 ?
O2 Ba2 O3 130.4(2) 16_656 . ?
O2 Ba2 O3 71.08(9) 3 . ?
O2 Ba2 O3 71.08(9) 18_556 . ?
O2 Ba2 O3 130.4(2) 1_655 . ?
O2 Ba2 O3 71.08(9) 17_666 . ?
O2 Ba2 O3 71.08(9) 2_665 . ?
O3 Ba2 O3 120.0 1_655 . ?
O2 Ba2 O3 71.08(9) 16_656 1_665 ?
O2 Ba2 O3 130.4(2) 3 1_665 ?
O2 Ba2 O3 130.4(2) 18_556 1_665 ?
O2 Ba2 O3 71.08(9) 1_655 1_665 ?
O2 Ba2 O3 71.08(9) 17_666 1_665 ?
O2 Ba2 O3 71.08(9) 2_665 1_665 ?
O3 Ba2 O3 120.0 1_655 1_665 ?
O3 Ba2 O3 120.0 . 1_665 ?
O2 Ba2 Bi1 45.818(16) 16_656 16_656 ?
O2 Ba2 Bi1 99.29(15) 3 16_656 ?
O2 Ba2 Bi1 45.818(16) 18_556 16_656 ?
O2 Ba2 Bi1 99.29(15) 1_655 16_656 ?
O2 Ba2 Bi1 96.1(2) 17_666 16_656 ?
O2 Ba2 Bi1 164.7(2) 2_665 16_656 ?
O3 Ba2 Bi1 34.313(13) 1_655 16_656 ?
O3 Ba2 Bi1 114.392(4) . 16_656 ?
O3 Ba2 Bi1 114.392(4) 1_665 16_656 ?
O2 Ba2 Bi1 45.818(17) 16_656 16_666 ?
O2 Ba2 Bi1 164.7(2) 3 16_666 ?
O2 Ba2 Bi1 96.1(2) 18_556 16_666 ?
O2 Ba2 Bi1 99.29(15) 1_655 16_666 ?
O2 Ba2 Bi1 45.818(17) 17_666 16_666 ?
O2 Ba2 Bi1 99.29(15) 2_665 16_666 ?
O3 Ba2 Bi1 114.392(4) 1_655 16_666 ?
O3 Ba2 Bi1 114.392(4) . 16_666 ?
O3 Ba2 Bi1 34.313(13) 1_665 16_666 ?
Bi1 Ba2 Bi1 91.337(18) 16_656 16_666 ?
O2 Ba2 Bi1 99.29(15) 16_656 1_655 ?
O2 Ba2 Bi1 45.818(17) 3 1_655 ?
O2 Ba2 Bi1 99.29(15) 18_556 1_655 ?
O2 Ba2 Bi1 45.818(16) 1_655 1_655 ?
O2 Ba2 Bi1 164.7(2) 17_666 1_655 ?
O2 Ba2 Bi1 96.1(2) 2_665 1_655 ?
O3 Ba2 Bi1 34.313(13) 1_655 1_655 ?
O3 Ba2 Bi1 114.392(4) . 1_655 ?
O3 Ba2 Bi1 114.392(4) 1_665 1_655 ?
Bi1 Ba2 Bi1 68.63(3) 16_656 1_655 ?
Bi1 Ba2 Bi1 131.215(8) 16_666 1_655 ?
O3 Bi1 O2 88.24(18) . 2 ?
O3 Bi1 O2 88.24(18) . 3 ?
O2 Bi1 O2 119.907(19) 2 3 ?
O3 Bi1 O2 88.24(18) . . ?
O2 Bi1 O2 119.907(19) 2 . ?
O2 Bi1 O2 119.91(2) 3 . ?
O3 Bi1 O2 88.24(18) . 2_665 ?
O2 Bi1 O2 171.5(5) 2 2_665 ?
O2 Bi1 O2 67.7(5) 3 2_665 ?
O2 Bi1 O2 52.2(5) . 2_665 ?
O3 Bi1 O2 88.24(18) . 3_455 ?
O2 Bi1 O2 52.2(5) 2 3_455 ?
O2 Bi1 O2 171.5(5) 3 3_455 ?
O2 Bi1 O2 67.7(5) . 3_455 ?
O2 Bi1 O2 119.907(19) 2_665 3_455 ?
O3 Bi1 O2 88.24(18) . 1_545 ?
O2 Bi1 O2 67.7(5) 2 1_545 ?
O2 Bi1 O2 52.2(5) 3 1_545 ?
O2 Bi1 O2 171.5(5) . 1_545 ?
O2 Bi1 O2 119.91(2) 2_665 1_545 ?
O2 Bi1 O2 119.91(2) 3_455 1_545 ?
O3 Bi1 Ba1 123.80(2) . . ?
O2 Bi1 Ba1 139.7(2) 2 . ?
O2 Bi1 Ba1 47.7(2) 3 . ?
O2 Bi1 Ba1 87.8(2) . . ?
O2 Bi1 Ba1 47.7(2) 2_665 . ?
O2 Bi1 Ba1 139.7(2) 3_455 . ?
O2 Bi1 Ba1 87.8(2) 1_545 . ?
O3 Bi1 Ba1 123.80(2) . 1_445 ?
O2 Bi1 Ba1 47.7(2) 2 1_445 ?
O2 Bi1 Ba1 87.8(2) 3 1_445 ?
O2 Bi1 Ba1 139.7(2) . 1_445 ?
O2 Bi1 Ba1 139.7(2) 2_665 1_445 ?
O2 Bi1 Ba1 87.8(2) 3_455 1_445 ?
O2 Bi1 Ba1 47.7(2) 1_545 1_445 ?
Ba1 Bi1 Ba1 92.05(3) . 1_445 ?
O3 Bi1 Ba1 123.80(2) . 1_455 ?
O2 Bi1 Ba1 87.8(2) 2 1_455 ?
O2 Bi1 Ba1 139.7(2) 3 1_455 ?
O2 Bi1 Ba1 47.7(2) . 1_455 ?
O2 Bi1 Ba1 87.8(2) 2_665 1_455 ?
O2 Bi1 Ba1 47.7(2) 3_455 1_455 ?
O2 Bi1 Ba1 139.7(2) 1_545 1_455 ?
Ba1 Bi1 Ba1 92.05(3) . 1_455 ?
Ba1 Bi1 Ba1 92.04(3) 1_445 1_455 ?
O3 Bi1 Ba2 55.685(13) . 1_445 ?
O2 Bi1 Ba2 45.3(2) 2 1_445 ?
O2 Bi1 Ba2 85.8(2) 3 1_445 ?
O2 Bi1 Ba2 136.4(2) . 1_445 ?
O2 Bi1 Ba2 136.4(2) 2_665 1_445 ?
O2 Bi1 Ba2 85.8(2) 3_455 1_445 ?
O2 Bi1 Ba2 45.3(2) 1_545 1_445 ?
Ba1 Bi1 Ba2 131.057(5) . 1_445 ?
Ba1 Bi1 Ba2 68.120(15) 1_445 1_445 ?
Ba1 Bi1 Ba2 131.056(5) 1_455 1_445 ?
O3 Bi1 Ba2 55.685(13) . . ?
O2 Bi1 Ba2 136.4(2) 2 . ?
O2 Bi1 Ba2 45.3(2) 3 . ?
O2 Bi1 Ba2 85.8(2) . . ?
O2 Bi1 Ba2 45.3(2) 2_665 . ?
O2 Bi1 Ba2 136.4(2) 3_455 . ?
O2 Bi1 Ba2 85.8(2) 1_545 . ?
Ba1 Bi1 Ba2 68.118(15) . . ?
Ba1 Bi1 Ba2 131.057(5) 1_445 . ?
Ba1 Bi1 Ba2 131.056(5) 1_455 . ?
Ba2 Bi1 Ba2 91.335(18) 1_445 . ?
O1 B1 O1 119.98(6) 2_665 . ?
O1 B1 O1 119.98(6) 2_665 3_565 ?
O1 B1 O1 119.98(6) . 3_565 ?
O1 B1 Ba1 61.1(3) 2_665 1_565 ?
O1 B1 Ba1 162.9(15) . 1_565 ?
O1 B1 Ba1 61.1(3) 3_565 1_565 ?
O1 B1 Ba1 162.9(15) 2_665 1_455 ?
O1 B1 Ba1 61.1(3) . 1_455 ?
O1 B1 Ba1 61.1(3) 3_565 1_455 ?
Ba1 B1 Ba1 112.4(3) 1_565 1_455 ?
O1 B1 Ba1 61.1(3) 2_665 . ?
O1 B1 Ba1 61.1(3) . . ?
O1 B1 Ba1 162.9(15) 3_565 . ?
Ba1 B1 Ba1 112.4(3) 1_565 . ?
Ba1 B1 Ba1 112.4(3) 1_455 . ?
O2 B2 O2 120.00(2) . 3_565 ?
O2 B2 O2 120.00(2) . 2_665 ?
O2 B2 O2 120.00(2) 3_565 2_665 ?
B1 O1 Eu1 140.0(12) . . ?
B1 O1 Ba1 94.1(4) . 1_455 ?
Eu1 O1 Ba1 98.5(2) . 1_455 ?
B1 O1 Ba1 94.1(4) . . ?
Eu1 O1 Ba1 98.5(2) . . ?
Ba1 O1 Ba1 142.4(4) 1_455 . ?
B2 O2 Ba2 130.2(10) . 1_455 ?
B2 O2 Bi1 93.9(2) . 1_565 ?
Ba2 O2 Bi1 88.8(2) 1_455 1_565 ?
B2 O2 Bi1 93.9(2) . . ?
Ba2 O2 Bi1 88.8(2) 1_455 . ?
Bi1 O2 Bi1 171.5(5) 1_565 . ?
B2 O2 Ba1 129.0(10) . 1_455 ?
Ba2 O2 Ba1 100.8(4) 1_455 1_455 ?
Bi1 O2 Ba1 86.2(2) 1_565 1_455 ?
Bi1 O2 Ba1 86.2(2) . 1_455 ?
Bi1 O3 Bi1 180.0 16_556 . ?
Bi1 O3 Ba2 90.0 16_556 1_445 ?
Bi1 O3 Ba2 90.0 . 1_445 ?
Bi1 O3 Ba2 90.0 16_556 . ?
Bi1 O3 Ba2 90.0 . . ?
Ba2 O3 Ba2 120.0 1_445 . ?
Bi1 O3 Ba2 90.0 16_556 1_455 ?
Bi1 O3 Ba2 90.0 . 1_455 ?
Ba2 O3 Ba2 120.0 1_445 1_455 ?
Ba2 O3 Ba2 120.0 . 1_455 ?

_refine_diff_density_max         6.004
_refine_diff_density_min         -4.662
_refine_diff_density_rms         0.430

