# 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. 
# 
#######################################################################

data_SrTbBO
_database_code_depnum_ccdc_archive 'CCDC 2129373'
loop_
_audit_author_name
_audit_author_address
'Xue-An Chen'
;Beijing University of Technology
China
;
_audit_update_record             
;
2021-12-17 deposited with the CCDC.	2022-03-21 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            'B26.33 O46 Sr2 Tb3'
_chemical_formula_weight         1672.66

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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3 :H'
_space_group_name_Hall           'R 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'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   7.74680(1)
_cell_length_b                   7.74680(1)
_cell_length_c                   46.3657(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2409.75(3)
_cell_formula_units_Z            3
_cell_measurement_temperature    292.6(3)
_cell_measurement_reflns_used    30372
_cell_measurement_theta_min      3.5740
_cell_measurement_theta_max      36.1750

_exptl_absorpt_correction_T_min  0.33294
_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 0.636
_oxdiff_exptl_absorpt_empirical_full_max 2.122
_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    3.458
_exptl_crystal_F_000             2312.1

_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    9.993

_diffrn_ambient_temperature      292.6(3)
_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 5.1688

_diffrn_reflns_number            26004
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -72
_diffrn_reflns_limit_l_max       72
_diffrn_reflns_theta_min         3.509
_diffrn_reflns_theta_max         33.493
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             4206
_reflns_number_gt                3919
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.996

_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_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          
;
 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)+(0.0413P)²+101.8185P] 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     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.12(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4206
_refine_ls_number_parameters     235
_refine_ls_number_restraints     793
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0474
_refine_ls_wR_factor_ref         0.1142
_refine_ls_wR_factor_gt          0.1119
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.118
_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_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
Sr1 Sr 0.000000 0.000000 0.07410(13) 0.0253(4) Uani 1 3 d S T P . .
Sr2 Sr 0.000000 0.000000 0.92588(13) 0.0257(4) Uani 1 3 d S T P . .
Tb1 Tb 0.000000 0.000000 0.16633(2) 0.00938(16) Uani 1 3 d S T P . .
Tb2 Tb 0.000000 0.000000 0.83453(2) 0.0095(3) Uani 1 3 d S T P . .
Tb3 Tb 0.000000 0.000000 0.49886(2) 0.0085(2) Uani 1 3 d S T P . .
B1 B -0.3358(18) 0.0012(19) 0.8771(7) 0.0116(17) Uani 1 1 d . U . . .
B2 B 0.3370(18) -0.0013(18) 0.8771(8) 0.0112(18) Uani 1 1 d . U . . .
B3 B -0.0007(19) -0.3369(19) 0.1228(8) 0.0134(18) Uani 1 1 d . U . . .
B4 B -0.337(2) -0.3385(19) 0.1228(8) 0.0141(18) Uani 1 1 d . U . . .
B5 B -0.498(2) 0.000(2) 0.9221(3) 0.0164(16) Uani 1 1 d . U . . .
B6 B -0.004(2) -0.501(2) 0.0775(3) 0.0180(16) Uani 1 1 d . U . . .
B7 B -0.399(3) 0.009(3) 0.9737(4) 0.034(2) Uani 1 1 d . U . . .
B8 B -0.012(3) -0.412(3) 0.0258(4) 0.033(2) Uani 1 1 d . U . . .
B9 B -0.148(3) 0.000000 0.0012(5) 0.032(2) Uani 0.7778 1 d . U P . .
O1 O 0.000000 0.000000 -0.0067(4) 0.0296(17) Uani 1 3 d S TU P . .
O2 O -0.0025(13) -0.3475(14) 0.0913(5) 0.0145(16) Uani 1 1 d . U . . .
O3 O 0.3444(13) -0.0018(13) 0.9085(5) 0.0141(16) Uani 1 1 d . U . . .
O4 O -0.3480(13) -0.0016(13) 0.9083(4) 0.0144(16) Uani 1 1 d . U . . .
O5 O -0.3452(14) -0.3455(13) 0.0912(4) 0.0133(15) Uani 1 1 d . U . . .
O6 O -0.1327(11) -0.2651(11) 0.53072(15) 0.0100(12) Uani 1 1 d . . . . .
O7 O -0.1299(12) 0.1276(12) 0.86793(16) 0.0137(12) Uani 1 1 d . U . . .
O8 O -0.5278(19) -0.0514(18) 0.9999(3) 0.042(2) Uani 1 1 d . U . . .
O9 O -0.3980(11) -0.1991(12) 0.86490(16) 0.0122(11) Uani 1 1 d . U . . .
O10 O 0.0274(18) -0.4886(18) 0.0480(3) 0.0330(19) Uani 1 1 d . U . . .
O11 O -0.242(2) 0.002(2) 0.9739(3) 0.046(2) Uani 1 1 d . U . . .
O12 O -0.5123(18) -0.0262(19) 0.9517(3) 0.035(2) Uani 1 1 d . U . . .
O13 O -0.0011(19) -0.245(2) 0.0266(3) 0.043(2) Uani 1 1 d . U . . .
O14 O 0.2017(12) -0.1990(12) 0.13404(16) 0.0133(11) Uani 1 1 d . U . . .
O15 O -0.1279(12) -0.2574(12) 0.13218(17) 0.0144(12) Uani 1 1 d . U . . .
O16 O -0.4669(12) -0.5325(12) 0.13607(16) 0.0124(11) Uani 1 1 d . U . . .


_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
Sr1 O5 2.790(11) . ?
Sr1 O5 2.790(11) 3 ?
Sr1 O5 2.790(11) 2 ?
Sr1 O2 2.798(11) . ?
Sr1 O2 2.798(11) 2 ?
Sr1 O2 2.798(11) 3 ?
Sr1 O13 2.906(14) 3 ?
Sr1 O13 2.906(14) 2 ?
Sr1 O13 2.906(14) . ?
Sr1 O15 3.199(9) . ?
Sr1 O15 3.199(10) 2 ?
Sr1 O15 3.199(9) 3 ?
Sr2 O3 2.794(11) 3 ?
Sr2 O3 2.794(11) 2 ?
Sr2 O3 2.794(11) . ?
Sr2 O4 2.810(11) . ?
Sr2 O4 2.810(11) 3 ?
Sr2 O4 2.810(11) 2 ?
Sr2 O11 2.916(14) . ?
Sr2 O11 2.916(15) 3 ?
Sr2 O11 2.916(14) 2 ?
Sr2 O1 3.126(17) 1_556 ?
Sr2 O7 3.194(9) 2 ?
Sr2 O7 3.194(9) 3 ?
Tb1 O9 2.332(8) 4_554 ?
Tb1 O9 2.332(8) 6_444 ?
Tb1 O9 2.332(8) 5_454 ?
Tb1 O15 2.343(8) 3 ?
Tb1 O15 2.343(8) 2 ?
Tb1 O15 2.343(8) . ?
Tb2 O7 2.320(7) . ?
Tb2 O7 2.320(8) 3 ?
Tb2 O7 2.320(8) 2 ?
Tb2 O16 2.324(7) 7 ?
Tb2 O16 2.324(7) 8_445 ?
Tb2 O16 2.324(7) 9_545 ?
Tb3 O14 2.306(8) 5_445 ?
Tb3 O14 2.306(8) 6 ?
Tb3 O14 2.306(7) 4_455 ?
Tb3 O6 2.312(7) . ?
Tb3 O6 2.312(7) 2 ?
Tb3 O6 2.312(7) 3 ?
B1 O4 1.45(4) . ?
B1 O7 1.457(17) . ?
B1 O6 1.475(19) 4_455 ?
B1 O9 1.487(19) . ?
B2 O3 1.45(4) . ?
B2 O6 1.471(19) 4 ?
B2 O9 1.47(2) 2 ?
B2 O7 1.490(17) 3 ?
B3 O2 1.46(4) . ?
B3 O15 1.465(18) . ?
B3 O16 1.47(2) 3_545 ?
B3 O14 1.48(2) . ?
B4 O16 1.46(2) . ?
B4 O5 1.46(4) . ?
B4 O14 1.472(19) 3 ?
B4 O15 1.478(19) . ?
B5 O4 1.334(19) . ?
B5 O3 1.366(19) 1_455 ?
B5 O12 1.385(15) . ?
B6 O2 1.34(2) . ?
B6 O5 1.36(2) 3_545 ?
B6 O10 1.384(17) . ?
B7 O11 1.25(3) . ?
B7 O12 1.28(2) . ?
B7 O8 1.49(2) . ?
B8 O13 1.25(3) . ?
B8 O10 1.30(2) . ?
B8 O8 1.47(2) 2_554 ?
B9 O1 1.20(2) . ?
B9 O13 1.40(3) 3 ?
B9 O11 1.46(3) 1_554 ?
B9 B9 1.99(4) 3 ?
B9 B9 1.99(4) 2 ?

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
O5 Sr1 O5 112.2(4) . 3 ?
O5 Sr1 O5 112.2(4) . 2 ?
O5 Sr1 O5 112.2(4) 3 2 ?
O5 Sr1 O2 56.9(2) . . ?
O5 Sr1 O2 146.9(6) 3 . ?
O5 Sr1 O2 57.7(2) 2 . ?
O5 Sr1 O2 146.9(6) . 2 ?
O5 Sr1 O2 57.7(2) 3 2 ?
O5 Sr1 O2 56.9(2) 2 2 ?
O2 Sr1 O2 112.2(4) . 2 ?
O5 Sr1 O2 57.7(2) . 3 ?
O5 Sr1 O2 56.9(2) 3 3 ?
O5 Sr1 O2 146.9(6) 2 3 ?
O2 Sr1 O2 112.2(4) . 3 ?
O2 Sr1 O2 112.2(4) 2 3 ?
O5 Sr1 O13 84.6(4) . 3 ?
O5 Sr1 O13 84.3(4) 3 3 ?
O5 Sr1 O13 147.3(5) 2 3 ?
O2 Sr1 O13 121.8(4) . 3 ?
O2 Sr1 O13 122.0(4) 2 3 ?
O2 Sr1 O13 65.8(5) 3 3 ?
O5 Sr1 O13 147.3(5) . 2 ?
O5 Sr1 O13 84.6(4) 3 2 ?
O5 Sr1 O13 84.3(4) 2 2 ?
O2 Sr1 O13 122.0(4) . 2 ?
O2 Sr1 O13 65.8(5) 2 2 ?
O2 Sr1 O13 121.8(4) 3 2 ?
O13 Sr1 O13 68.9(4) 3 2 ?
O5 Sr1 O13 84.3(4) . . ?
O5 Sr1 O13 147.3(5) 3 . ?
O5 Sr1 O13 84.6(4) 2 . ?
O2 Sr1 O13 65.8(5) . . ?
O2 Sr1 O13 121.8(4) 2 . ?
O2 Sr1 O13 122.0(4) 3 . ?
O13 Sr1 O13 68.9(4) 3 . ?
O13 Sr1 O13 68.9(4) 2 . ?
O5 Sr1 O15 46.6(4) . . ?
O5 Sr1 O15 102.1(4) 3 . ?
O5 Sr1 O15 76.1(4) 2 . ?
O2 Sr1 O15 46.3(4) . . ?
O2 Sr1 O15 101.9(5) 2 . ?
O2 Sr1 O15 76.4(4) 3 . ?
O13 Sr1 O15 129.8(3) 3 . ?
O13 Sr1 O15 160.3(3) 2 . ?
O13 Sr1 O15 109.3(3) . . ?
O5 Sr1 O15 102.1(4) . 2 ?
O5 Sr1 O15 76.1(4) 3 2 ?
O5 Sr1 O15 46.6(4) 2 2 ?
O2 Sr1 O15 76.4(4) . 2 ?
O2 Sr1 O15 46.3(4) 2 2 ?
O2 Sr1 O15 101.9(5) 3 2 ?
O13 Sr1 O15 160.3(3) 3 2 ?
O13 Sr1 O15 109.3(3) 2 2 ?
O13 Sr1 O15 129.8(3) . 2 ?
O15 Sr1 O15 55.7(3) . 2 ?
O5 Sr1 O15 76.1(4) . 3 ?
O5 Sr1 O15 46.6(4) 3 3 ?
O5 Sr1 O15 102.1(4) 2 3 ?
O2 Sr1 O15 101.9(5) . 3 ?
O2 Sr1 O15 76.4(4) 2 3 ?
O2 Sr1 O15 46.3(4) 3 3 ?
O13 Sr1 O15 109.3(3) 3 3 ?
O13 Sr1 O15 129.8(3) 2 3 ?
O13 Sr1 O15 160.3(3) . 3 ?
O15 Sr1 O15 55.7(3) . 3 ?
O15 Sr1 O15 55.7(3) 2 3 ?
O3 Sr2 O3 112.0(4) 3 2 ?
O3 Sr2 O3 112.0(4) 3 . ?
O3 Sr2 O3 112.0(4) 2 . ?
O3 Sr2 O4 56.7(3) 3 . ?
O3 Sr2 O4 57.7(3) 2 . ?
O3 Sr2 O4 146.4(6) . . ?
O3 Sr2 O4 146.4(6) 3 3 ?
O3 Sr2 O4 56.7(3) 2 3 ?
O3 Sr2 O4 57.7(3) . 3 ?
O4 Sr2 O4 112.0(4) . 3 ?
O3 Sr2 O4 57.7(3) 3 2 ?
O3 Sr2 O4 146.4(6) 2 2 ?
O3 Sr2 O4 56.7(3) . 2 ?
O4 Sr2 O4 112.0(4) . 2 ?
O4 Sr2 O4 112.0(4) 3 2 ?
O3 Sr2 O11 84.9(5) 3 . ?
O3 Sr2 O11 84.9(5) 2 . ?
O3 Sr2 O11 147.1(5) . . ?
O4 Sr2 O11 66.6(5) . . ?
O4 Sr2 O11 121.7(4) 3 . ?
O4 Sr2 O11 122.4(4) 2 . ?
O3 Sr2 O11 147.1(5) 3 3 ?
O3 Sr2 O11 85.0(5) 2 3 ?
O3 Sr2 O11 84.9(5) . 3 ?
O4 Sr2 O11 122.4(4) . 3 ?
O4 Sr2 O11 66.6(5) 3 3 ?
O4 Sr2 O11 121.7(4) 2 3 ?
O11 Sr2 O11 68.1(5) . 3 ?
O3 Sr2 O11 84.9(5) 3 2 ?
O3 Sr2 O11 147.1(5) 2 2 ?
O3 Sr2 O11 85.0(4) . 2 ?
O4 Sr2 O11 121.7(4) . 2 ?
O4 Sr2 O11 122.4(4) 3 2 ?
O4 Sr2 O11 66.6(5) 2 2 ?
O11 Sr2 O11 68.1(5) . 2 ?
O11 Sr2 O11 68.1(5) 3 2 ?
O3 Sr2 O1 106.8(4) 3 1_556 ?
O3 Sr2 O1 106.8(4) 2 1_556 ?
O3 Sr2 O1 106.8(4) . 1_556 ?
O4 Sr2 O1 106.8(4) . 1_556 ?
O4 Sr2 O1 106.8(4) 3 1_556 ?
O4 Sr2 O1 106.8(4) 2 1_556 ?
O11 Sr2 O1 40.3(3) . 1_556 ?
O11 Sr2 O1 40.3(3) 3 1_556 ?
O11 Sr2 O1 40.3(3) 2 1_556 ?
O3 Sr2 O7 46.4(4) 3 2 ?
O3 Sr2 O7 102.0(5) 2 2 ?
O3 Sr2 O7 75.6(4) . 2 ?
O4 Sr2 O7 75.9(4) . 2 ?
O4 Sr2 O7 101.8(4) 3 2 ?
O4 Sr2 O7 46.2(4) 2 2 ?
O11 Sr2 O7 130.2(3) . 2 ?
O11 Sr2 O7 160.5(3) 3 2 ?
O11 Sr2 O7 109.7(3) 2 2 ?
O1 Sr2 O7 147.26(15) 1_556 2 ?
O3 Sr2 O7 102.0(5) 3 3 ?
O3 Sr2 O7 75.6(4) 2 3 ?
O3 Sr2 O7 46.4(4) . 3 ?
O4 Sr2 O7 101.8(4) . 3 ?
O4 Sr2 O7 46.2(4) 3 3 ?
O4 Sr2 O7 75.9(4) 2 3 ?
O11 Sr2 O7 160.5(3) . 3 ?
O11 Sr2 O7 109.7(4) 3 3 ?
O11 Sr2 O7 130.2(3) 2 3 ?
O1 Sr2 O7 147.26(16) 1_556 3 ?
O7 Sr2 O7 55.9(3) 2 3 ?
O9 Tb1 O9 84.0(3) 4_554 6_444 ?
O9 Tb1 O9 84.0(3) 4_554 5_454 ?
O9 Tb1 O9 84.0(3) 6_444 5_454 ?
O9 Tb1 O15 135.7(3) 4_554 3 ?
O9 Tb1 O15 135.4(3) 6_444 3 ?
O9 Tb1 O15 81.9(3) 5_454 3 ?
O9 Tb1 O15 81.9(3) 4_554 2 ?
O9 Tb1 O15 135.7(3) 6_444 2 ?
O9 Tb1 O15 135.4(3) 5_454 2 ?
O15 Tb1 O15 79.3(3) 3 2 ?
O9 Tb1 O15 135.4(3) 4_554 . ?
O9 Tb1 O15 81.9(3) 6_444 . ?
O9 Tb1 O15 135.7(3) 5_454 . ?
O15 Tb1 O15 79.3(3) 3 . ?
O15 Tb1 O15 79.3(3) 2 . ?
O9 Tb1 Sr1 129.38(19) 4_554 . ?
O9 Tb1 Sr1 129.38(19) 6_444 . ?
O9 Tb1 Sr1 129.38(18) 5_454 . ?
O15 Tb1 Sr1 47.5(2) 3 . ?
O15 Tb1 Sr1 47.5(2) 2 . ?
O15 Tb1 Sr1 47.5(2) . . ?
O7 Tb2 O7 80.3(3) . 3 ?
O7 Tb2 O7 80.3(3) . 2 ?
O7 Tb2 O7 80.3(3) 3 2 ?
O7 Tb2 O16 81.3(3) . 7 ?
O7 Tb2 O16 135.1(3) 3 7 ?
O7 Tb2 O16 135.6(3) 2 7 ?
O7 Tb2 O16 135.1(3) . 8_445 ?
O7 Tb2 O16 135.6(3) 3 8_445 ?
O7 Tb2 O16 81.3(3) 2 8_445 ?
O16 Tb2 O16 84.0(3) 7 8_445 ?
O7 Tb2 O16 135.6(3) . 9_545 ?
O7 Tb2 O16 81.3(3) 3 9_545 ?
O7 Tb2 O16 135.1(3) 2 9_545 ?
O16 Tb2 O16 84.0(3) 7 9_545 ?
O16 Tb2 O16 84.0(3) 8_445 9_545 ?
O7 Tb2 Sr2 48.12(19) . . ?
O7 Tb2 Sr2 48.1(2) 3 . ?
O7 Tb2 Sr2 48.12(19) 2 . ?
O16 Tb2 Sr2 129.39(19) 7 . ?
O16 Tb2 Sr2 129.39(19) 8_445 . ?
O16 Tb2 Sr2 129.39(19) 9_545 . ?
O14 Tb3 O14 84.2(3) 5_445 6 ?
O14 Tb3 O14 84.2(3) 5_445 4_455 ?
O14 Tb3 O14 84.2(3) 6 4_455 ?
O14 Tb3 O6 79.0(3) 5_445 . ?
O14 Tb3 O6 134.4(3) 6 . ?
O14 Tb3 O6 134.8(3) 4_455 . ?
O14 Tb3 O6 134.8(3) 5_445 2 ?
O14 Tb3 O6 79.0(3) 6 2 ?
O14 Tb3 O6 134.4(3) 4_455 2 ?
O6 Tb3 O6 83.6(3) . 2 ?
O14 Tb3 O6 134.4(3) 5_445 3 ?
O14 Tb3 O6 134.8(3) 6 3 ?
O14 Tb3 O6 79.0(3) 4_455 3 ?
O6 Tb3 O6 83.6(3) . 3 ?
O6 Tb3 O6 83.6(3) 2 3 ?
O4 B1 O7 110.0(16) . . ?
O4 B1 O6 111.4(14) . 4_455 ?
O7 B1 O6 110.8(16) . 4_455 ?
O4 B1 O9 112.3(15) . . ?
O7 B1 O9 105.4(14) . . ?
O6 B1 O9 106.8(16) 4_455 . ?
O4 B1 Sr2 52.3(7) . . ?
O7 B1 Sr2 67.6(9) . . ?
O6 B1 Sr2 156.7(14) 4_455 . ?
O9 B1 Sr2 95.6(8) . . ?
O3 B2 O6 112.2(15) . 4 ?
O3 B2 O9 113.0(15) . 2 ?
O6 B2 O9 107.6(17) 4 2 ?
O3 B2 O7 108.5(16) . 3 ?
O6 B2 O7 109.8(15) 4 3 ?
O9 B2 O7 105.5(14) 2 3 ?
O3 B2 Sr2 51.5(7) . . ?
O6 B2 Sr2 156.2(14) 4 . ?
O9 B2 Sr2 95.6(9) 2 . ?
O7 B2 Sr2 67.3(9) 3 . ?
O2 B3 O15 109.2(17) . . ?
O2 B3 O16 111.6(15) . 3_545 ?
O15 B3 O16 110.9(17) . 3_545 ?
O2 B3 O14 111.6(16) . . ?
O15 B3 O14 106.6(15) . . ?
O16 B3 O14 106.9(17) 3_545 . ?
O2 B3 Sr1 52.0(7) . . ?
O15 B3 Sr1 67.8(10) . . ?
O16 B3 Sr1 157.3(15) 3_545 . ?
O14 B3 Sr1 94.8(9) . . ?
O16 B4 O5 112.8(15) . . ?
O16 B4 O14 106.4(17) . 3 ?
O5 B4 O14 110.8(15) . 3 ?
O16 B4 O15 111.0(17) . . ?
O5 B4 O15 109.3(17) . . ?
O14 B4 O15 106.2(15) 3 . ?
O16 B4 Sr1 157.9(15) . . ?
O5 B4 Sr1 51.6(7) . . ?
O14 B4 Sr1 94.8(9) 3 . ?
O15 B4 Sr1 67.6(10) . . ?
O4 B5 O3 123.9(15) . 1_455 ?
O4 B5 O12 118.4(14) . . ?
O3 B5 O12 117.0(14) 1_455 . ?
O2 B6 O5 123.8(15) . 3_545 ?
O2 B6 O10 119.0(15) . . ?
O5 B6 O10 116.2(14) 3_545 . ?
O11 B7 O12 124.8(17) . . ?
O11 B7 O8 119.6(15) . . ?
O12 B7 O8 107.7(15) . . ?
O13 B8 O10 122.4(16) . . ?
O13 B8 O8 121.0(15) . 2_554 ?
O10 B8 O8 107.1(16) . 2_554 ?
O1 B9 O13 140(2) . 3 ?
O1 B9 O11 102.6(17) . 1_554 ?
O13 B9 O11 117.3(18) 3 1_554 ?
O1 B9 B9 34.4(6) . 3 ?
O13 B9 B9 117.5(10) 3 3 ?
O11 B9 B9 115.6(9) 1_554 3 ?
O1 B9 B9 34.4(6) . 2 ?
O13 B9 B9 117.8(9) 3 2 ?
O11 B9 B9 116.1(10) 1_554 2 ?
B9 B9 B9 60.001(2) 3 2 ?
B9 O1 B9 111.3(12) . 3 ?
B9 O1 B9 111.3(12) . 2 ?
B9 O1 B9 111.2(12) 3 2 ?
B9 O1 Sr2 107.6(13) . 1_554 ?
B9 O1 Sr2 107.6(13) 3 1_554 ?
B9 O1 Sr2 107.6(13) 2 1_554 ?
B6 O2 B3 121.3(13) . . ?
B6 O2 Sr1 135.1(14) . . ?
B3 O2 Sr1 103.6(8) . . ?
B5 O3 B2 119.9(12) 1_655 . ?
B5 O3 Sr2 135.6(14) 1_655 . ?
B2 O3 Sr2 104.5(8) . . ?
B5 O4 B1 121.8(12) . . ?
B5 O4 Sr2 134.7(13) . . ?
B1 O4 Sr2 103.5(7) . . ?
B6 O5 B4 120.1(13) 2_445 . ?
B6 O5 Sr1 135.7(13) 2_445 . ?
B4 O5 Sr1 104.2(8) . . ?
B2 O6 B1 118.0(14) 7_444 7_544 ?
B2 O6 Tb3 120.5(9) 7_444 . ?
B1 O6 Tb3 119.7(9) 7_544 . ?
B1 O7 B2 124.8(13) . 2 ?
B1 O7 Tb2 118.1(10) . . ?
B2 O7 Tb2 117.0(10) 2 . ?
B1 O7 Sr2 87.4(12) . . ?
B2 O7 Sr2 87.2(12) 2 . ?
Tb2 O7 Sr2 99.1(3) . . ?
B8 O8 B7 108.9(13) 3_556 . ?
B2 O9 B1 123.7(15) 3 . ?
B2 O9 Tb1 117.0(9) 3 7_445 ?
B1 O9 Tb1 117.3(9) . 7_445 ?
B8 O10 B6 137.9(15) . . ?
B7 O11 B9 120.5(15) . 1_556 ?
B7 O11 Sr2 129.9(11) . . ?
B9 O11 Sr2 109.5(12) 1_556 . ?
B7 O12 B5 139.8(15) . . ?
B8 O13 B9 120.5(16) . 2 ?
B8 O13 Sr1 132.5(11) . . ?
B9 O13 Sr1 106.8(12) 2 . ?
B4 O14 B3 125.5(15) 2 . ?
B4 O14 Tb3 117.0(10) 2 7_544 ?
B3 O14 Tb3 116.4(10) . 7_544 ?
B3 O15 B4 123.9(13) . . ?
B3 O15 Tb1 118.1(11) . . ?
B4 O15 Tb1 118.0(11) . . ?
B3 O15 Sr1 87.1(13) . . ?
B4 O15 Sr1 87.1(13) . . ?
Tb1 O15 Sr1 99.9(3) . . ?
B4 O16 B3 118.5(15) . 2_445 ?
B4 O16 Tb2 119.6(10) . 4_444 ?
B3 O16 Tb2 119.4(9) 2_445 4_444 ?

_refine_diff_density_max         3.224
_refine_diff_density_min         -4.632
_refine_diff_density_rms         0.320

####################################################################### 
# 
# 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_BaEuBO
_database_code_depnum_ccdc_archive 'CCDC 2129374'
loop_
_audit_author_name
_audit_author_address
'Xue-An Chen'
;Beijing University of Technology
China
;
_audit_update_record             
;
2021-12-17 deposited with the CCDC.	2022-03-21 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            'B26.33 Ba2 Eu3 O46'
_chemical_formula_weight         1751.22

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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3 :H'
_space_group_name_Hall           'R 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'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   7.7964(1)
_cell_length_b                   7.7964(1)
_cell_length_c                   46.5086(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2448.23(7)
_cell_formula_units_Z            3
_cell_measurement_temperature    290.29(15)
_cell_measurement_reflns_used    21075
_cell_measurement_theta_min      3.4890
_cell_measurement_theta_max      36.4050

_exptl_absorpt_correction_T_min  0.68051
_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 0.814
_oxdiff_exptl_absorpt_empirical_full_max 1.346
_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    3.563
_exptl_crystal_F_000             2402.1


_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    8.231

_diffrn_ambient_temperature      290.29(15)
_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            36376
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -69
_diffrn_reflns_limit_l_max       69
_diffrn_reflns_theta_min         3.489
_diffrn_reflns_theta_max         31.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             3805
_reflns_number_gt                3757
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    0.995

_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_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          
;
 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)+(0.0421P)²+172.6335P] 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       0.00057(7)
_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   0.13(4)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3805
_refine_ls_number_parameters     236
_refine_ls_number_restraints     943
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0405
_refine_ls_wR_factor_ref         0.1021
_refine_ls_wR_factor_gt          0.1019
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.043
_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
Ba1 Ba 1.000000 1.000000 0.92914(7) 0.0141(3) Uani 1 3 d S TU P . .
Ba2 Ba 1.000000 1.000000 0.07116(7) 0.0137(3) Uani 1 3 d S TU P . .
Eu1 Eu 1.000000 1.000000 0.83377(3) 0.00466(19) Uani 1 3 d S T P . .
Eu2 Eu 1.000000 1.000000 0.16529(2) 0.0051(3) Uani 1 3 d S T P . .
Eu3 Eu 1.000000 1.000000 0.50128(3) 0.0046(2) Uani 1 3 d S T P . .
B1 B 1.337(2) 0.999(2) 0.1228(7) 0.0077(17) Uani 1 1 d . U . . .
B2 B 0.662(2) 1.000(2) 0.1227(7) 0.0073(17) Uani 1 1 d . U . . .
B3 B 1.002(2) 1.337(2) 0.8772(7) 0.0088(17) Uani 1 1 d . U . . .
B4 B 1.335(2) 1.337(2) 0.8772(7) 0.0087(17) Uani 1 1 d . U . . .
B5 B 1.501(3) 1.002(3) 0.0780(3) 0.0122(17) Uani 1 1 d . U . . .
B6 B 1.001(3) 1.501(3) 0.9227(3) 0.0131(17) Uani 1 1 d . U . . .
B7 B 1.417(3) 0.994(3) 0.0256(4) 0.026(2) Uani 1 1 d . U . . .
B8 B 1.003(3) 1.422(3) 0.9749(4) 0.025(2) Uani 1 1 d . U . . .
B9 B 1.162(3) 1.000000 0.9999(5) 0.024(2) Uani 0.7778 1 d . U P . .
O1 O 1.000000 1.000000 1.0056(3) 0.0155(8) Uani 1 3 d S TU P . .
O2 O 1.0020(17) 1.3486(18) 0.9084(4) 0.0113(9) Uani 1 1 d . U . . .
O3 O 0.6526(16) 1.0009(16) 0.0916(4) 0.0114(9) Uani 1 1 d . U . . .
O4 O 1.3503(17) 1.0023(16) 0.0918(4) 0.0110(9) Uani 1 1 d . U . . .
O5 O 1.3468(17) 1.3471(18) 0.9086(4) 0.0116(9) Uani 1 1 d . U . . .
O6 O 1.1346(12) 1.2686(13) 0.46920(18) 0.0102(8) Uani 1 1 d . U . . .
O7 O 1.1315(13) 0.8693(13) 0.13203(18) 0.0123(9) Uani 1 1 d . U . . .
O8 O 1.5246(15) 1.0463(13) 0.0000(2) 0.0207(11) Uani 1 1 d . U . . .
O9 O 1.3960(13) 1.1982(13) 0.13527(18) 0.0113(9) Uani 1 1 d . U . . .
O10 O 0.9612(16) 1.4821(15) 0.9517(2) 0.0192(10) Uani 1 1 d . U . . .
O11 O 1.2515(16) 0.9963(16) 0.0257(2) 0.0225(11) Uani 1 1 d . U . . .
O12 O 1.5150(16) 1.0325(17) 0.0483(2) 0.0203(11) Uani 1 1 d . U . . .
O13 O 1.0022(15) 1.2536(15) 0.9743(2) 0.0213(10) Uani 1 1 d . U . . .
O14 O 0.8018(13) 1.1985(13) 0.86586(18) 0.0113(8) Uani 1 1 d . U . . .
O15 O 1.1301(13) 1.2614(13) 0.86770(18) 0.0118(8) Uani 1 1 d . U . . .
O16 O 1.4687(13) 1.5308(13) 0.86387(18) 0.0117(8) Uani 1 1 d . U . . .


_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
Ba1 O5 2.868(14) . ?
Ba1 O5 2.868(13) 3_675 ?
Ba1 O5 2.868(13) 2_765 ?
Ba1 O2 2.877(13) . ?
Ba1 O2 2.877(13) 2_765 ?
Ba1 O2 2.877(13) 3_675 ?
Ba1 O13 2.879(11) 3_675 ?
Ba1 O13 2.879(11) 2_765 ?
Ba1 O13 2.879(11) . ?
Ba1 Eu1 4.436(4) . ?
Ba2 O3 2.874(13) . ?
Ba2 O3 2.874(13) 3_675 ?
Ba2 O3 2.874(12) 2_765 ?
Ba2 O4 2.887(12) 3_675 ?
Ba2 O4 2.887(12) 2_765 ?
Ba2 O4 2.887(12) . ?
Ba2 O11 2.894(11) . ?
Ba2 O11 2.894(11) 3_675 ?
Ba2 O11 2.895(11) 2_765 ?
Ba2 O1 3.050(14) 1_554 ?
Ba2 Eu2 4.378(4) . ?
Eu1 O9 2.352(8) 7_445 ?
Eu1 O9 2.352(9) 9_675 ?
Eu1 O9 2.352(8) 8_755 ?
Eu1 O15 2.368(9) . ?
Eu1 O15 2.368(8) 3_675 ?
Eu1 O15 2.368(9) 2_765 ?
Eu1 O6 3.055(8) 4_445 ?
Eu1 O6 3.055(9) 5_765 ?
Eu1 O6 3.055(8) 6_575 ?
Eu1 O14 3.066(8) . ?
Eu1 O14 3.066(8) 3_675 ?
Eu1 O14 3.066(9) 2_765 ?
Eu2 O7 2.351(8) . ?
Eu2 O7 2.352(8) 3_675 ?
Eu2 O7 2.352(8) 2_765 ?
Eu2 O16 2.357(8) 4_444 ?
Eu2 O16 2.357(8) 5_764 ?
Eu2 O16 2.357(8) 6_574 ?
Eu2 O9 3.016(9) 3_675 ?
Eu2 O9 3.016(9) 2_765 ?
Eu2 O9 3.016(9) . ?
Eu2 B1 3.29(2) . ?
Eu2 B1 3.29(2) 3_675 ?
Eu2 B1 3.29(2) 2_765 ?
Eu3 O14 2.331(8) 8_764 ?
Eu3 O14 2.331(8) 9_564 ?
Eu3 O14 2.331(8) 7_544 ?
Eu3 O6 2.348(8) 2_765 ?
Eu3 O6 2.348(8) 3_675 ?
Eu3 O6 2.348(9) . ?
Eu3 O16 2.997(9) 9_674 ?
Eu3 O16 2.997(8) 8_754 ?
Eu3 O16 2.997(8) 7_444 ?
Eu3 B4 3.27(2) 7_444 ?
Eu3 B4 3.27(2) 9_674 ?
Eu3 B4 3.27(2) 8_754 ?
B1 O4 1.44(4) . ?
B1 O7 1.47(2) . ?
B1 O6 1.47(2) 7_544 ?
B1 O9 1.50(2) . ?
B2 O3 1.45(4) . ?
B2 O6 1.47(2) 7_444 ?
B2 O7 1.481(19) 3_675 ?
B2 O9 1.49(2) 2_765 ?
B3 O2 1.45(4) . ?
B3 O15 1.459(19) . ?
B3 O16 1.48(2) 3_685 ?
B3 O14 1.48(2) . ?
B4 O5 1.46(4) . ?
B4 O15 1.47(2) . ?
B4 O16 1.48(2) . ?
B4 O14 1.48(2) 3_675 ?
B5 O4 1.34(2) . ?
B5 O3 1.34(2) 1_655 ?
B5 O12 1.398(17) . ?
B6 O5 1.36(2) 3_685 ?
B6 O2 1.36(2) . ?
B6 O10 1.376(17) . ?
B7 O12 1.25(2) . ?
B7 O11 1.30(2) . ?
B7 O8 1.39(2) . ?
B8 O10 1.28(2) . ?
B8 O13 1.31(2) . ?
B8 O8 1.37(2) 2_766 ?
B9 O1 1.29(2) . ?
B9 O13 1.38(2) 3_675 ?
B9 O11 1.40(2) 1_556 ?

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
O5 Ba1 O5 109.5(4) . 3_675 ?
O5 Ba1 O5 109.5(4) . 2_765 ?
O5 Ba1 O5 109.5(4) 3_675 2_765 ?
O5 Ba1 O2 55.9(3) . . ?
O5 Ba1 O2 141.0(5) 3_675 . ?
O5 Ba1 O2 56.5(3) 2_765 . ?
O5 Ba1 O2 141.0(5) . 2_765 ?
O5 Ba1 O2 56.5(3) 3_675 2_765 ?
O5 Ba1 O2 55.9(3) 2_765 2_765 ?
O2 Ba1 O2 109.4(4) . 2_765 ?
O5 Ba1 O2 56.5(3) . 3_675 ?
O5 Ba1 O2 55.9(3) 3_675 3_675 ?
O5 Ba1 O2 141.0(5) 2_765 3_675 ?
O2 Ba1 O2 109.4(4) . 3_675 ?
O2 Ba1 O2 109.4(4) 2_765 3_675 ?
O5 Ba1 O13 85.7(4) . 3_675 ?
O5 Ba1 O13 85.2(4) 3_675 3_675 ?
O5 Ba1 O13 152.6(4) 2_765 3_675 ?
O2 Ba1 O13 124.6(4) . 3_675 ?
O2 Ba1 O13 124.4(4) 2_765 3_675 ?
O2 Ba1 O13 66.4(4) 3_675 3_675 ?
O5 Ba1 O13 152.6(4) . 2_765 ?
O5 Ba1 O13 85.7(4) 3_675 2_765 ?
O5 Ba1 O13 85.2(4) 2_765 2_765 ?
O2 Ba1 O13 124.4(4) . 2_765 ?
O2 Ba1 O13 66.4(4) 2_765 2_765 ?
O2 Ba1 O13 124.6(4) 3_675 2_765 ?
O13 Ba1 O13 72.6(3) 3_675 2_765 ?
O5 Ba1 O13 85.2(4) . . ?
O5 Ba1 O13 152.6(4) 3_675 . ?
O5 Ba1 O13 85.7(4) 2_765 . ?
O2 Ba1 O13 66.4(4) . . ?
O2 Ba1 O13 124.6(4) 2_765 . ?
O2 Ba1 O13 124.4(4) 3_675 . ?
O13 Ba1 O13 72.6(3) 3_675 . ?
O13 Ba1 O13 72.6(3) 2_765 . ?
O5 Ba1 Eu1 70.6(4) . . ?
O5 Ba1 Eu1 70.6(4) 3_675 . ?
O5 Ba1 Eu1 70.6(4) 2_765 . ?
O2 Ba1 Eu1 70.4(4) . . ?
O2 Ba1 Eu1 70.4(4) 2_765 . ?
O2 Ba1 Eu1 70.4(4) 3_675 . ?
O13 Ba1 Eu1 136.9(2) 3_675 . ?
O13 Ba1 Eu1 136.9(2) 2_765 . ?
O13 Ba1 Eu1 136.9(2) . . ?
O3 Ba2 O3 109.6(4) . 3_675 ?
O3 Ba2 O3 109.6(4) . 2_765 ?
O3 Ba2 O3 109.6(4) 3_675 2_765 ?
O3 Ba2 O4 56.7(3) . 3_675 ?
O3 Ba2 O4 141.2(5) 3_675 3_675 ?
O3 Ba2 O4 55.9(3) 2_765 3_675 ?
O3 Ba2 O4 55.9(3) . 2_765 ?
O3 Ba2 O4 56.7(3) 3_675 2_765 ?
O3 Ba2 O4 141.2(5) 2_765 2_765 ?
O4 Ba2 O4 109.5(4) 3_675 2_765 ?
O3 Ba2 O4 141.2(5) . . ?
O3 Ba2 O4 55.9(3) 3_675 . ?
O3 Ba2 O4 56.7(3) 2_765 . ?
O4 Ba2 O4 109.5(4) 3_675 . ?
O4 Ba2 O4 109.5(4) 2_765 . ?
O3 Ba2 O11 152.4(4) . . ?
O3 Ba2 O11 85.7(4) 3_675 . ?
O3 Ba2 O11 85.1(4) 2_765 . ?
O4 Ba2 O11 123.7(4) 3_675 . ?
O4 Ba2 O11 125.1(4) 2_765 . ?
O4 Ba2 O11 66.4(4) . . ?
O3 Ba2 O11 85.1(4) . 3_675 ?
O3 Ba2 O11 152.4(4) 3_675 3_675 ?
O3 Ba2 O11 85.7(4) 2_765 3_675 ?
O4 Ba2 O11 66.4(4) 3_675 3_675 ?
O4 Ba2 O11 123.7(4) 2_765 3_675 ?
O4 Ba2 O11 125.1(4) . 3_675 ?
O11 Ba2 O11 72.5(3) . 3_675 ?
O3 Ba2 O11 85.7(4) . 2_765 ?
O3 Ba2 O11 85.1(4) 3_675 2_765 ?
O3 Ba2 O11 152.4(4) 2_765 2_765 ?
O4 Ba2 O11 125.1(4) 3_675 2_765 ?
O4 Ba2 O11 66.4(4) 2_765 2_765 ?
O4 Ba2 O11 123.7(4) . 2_765 ?
O11 Ba2 O11 72.5(3) . 2_765 ?
O11 Ba2 O11 72.5(3) 3_675 2_765 ?
O3 Ba2 O1 109.3(4) . 1_554 ?
O3 Ba2 O1 109.3(4) 3_675 1_554 ?
O3 Ba2 O1 109.3(4) 2_765 1_554 ?
O4 Ba2 O1 109.4(4) 3_675 1_554 ?
O4 Ba2 O1 109.4(4) 2_765 1_554 ?
O4 Ba2 O1 109.4(4) . 1_554 ?
O11 Ba2 O1 43.0(2) . 1_554 ?
O11 Ba2 O1 43.0(2) 3_675 1_554 ?
O11 Ba2 O1 43.0(2) 2_765 1_554 ?
O3 Ba2 Eu2 70.7(4) . . ?
O3 Ba2 Eu2 70.7(4) 3_675 . ?
O3 Ba2 Eu2 70.7(4) 2_765 . ?
O4 Ba2 Eu2 70.6(4) 3_675 . ?
O4 Ba2 Eu2 70.6(4) 2_765 . ?
O4 Ba2 Eu2 70.6(4) . . ?
O11 Ba2 Eu2 137.0(2) . . ?
O11 Ba2 Eu2 137.0(2) 3_675 . ?
O11 Ba2 Eu2 137.0(2) 2_765 . ?
O1 Ba2 Eu2 180.0 1_554 . ?
O9 Eu1 O9 84.6(3) 7_445 9_675 ?
O9 Eu1 O9 84.6(3) 7_445 8_755 ?
O9 Eu1 O9 84.6(3) 9_675 8_755 ?
O9 Eu1 O15 135.0(3) 7_445 . ?
O9 Eu1 O15 80.8(3) 9_675 . ?
O9 Eu1 O15 135.3(3) 8_755 . ?
O9 Eu1 O15 135.3(3) 7_445 3_675 ?
O9 Eu1 O15 135.0(3) 9_675 3_675 ?
O9 Eu1 O15 80.8(3) 8_755 3_675 ?
O15 Eu1 O15 80.4(3) . 3_675 ?
O9 Eu1 O15 80.8(3) 7_445 2_765 ?
O9 Eu1 O15 135.3(3) 9_675 2_765 ?
O9 Eu1 O15 135.0(3) 8_755 2_765 ?
O15 Eu1 O15 80.4(3) . 2_765 ?
O15 Eu1 O15 80.4(3) 3_675 2_765 ?
O9 Eu1 O6 50.2(3) 7_445 4_445 ?
O9 Eu1 O6 112.6(3) 9_675 4_445 ?
O9 Eu1 O6 50.1(3) 8_755 4_445 ?
O15 Eu1 O6 166.6(3) . 4_445 ?
O15 Eu1 O6 89.4(3) 3_675 4_445 ?
O15 Eu1 O6 89.3(3) 2_765 4_445 ?
O9 Eu1 O6 112.6(3) 7_445 5_765 ?
O9 Eu1 O6 50.1(3) 9_675 5_765 ?
O9 Eu1 O6 50.2(3) 8_755 5_765 ?
O15 Eu1 O6 89.4(3) . 5_765 ?
O15 Eu1 O6 89.3(3) 3_675 5_765 ?
O15 Eu1 O6 166.6(3) 2_765 5_765 ?
O6 Eu1 O6 99.3(2) 4_445 5_765 ?
O9 Eu1 O6 50.1(3) 7_445 6_575 ?
O9 Eu1 O6 50.2(3) 9_675 6_575 ?
O9 Eu1 O6 112.6(3) 8_755 6_575 ?
O15 Eu1 O6 89.3(3) . 6_575 ?
O15 Eu1 O6 166.6(3) 3_675 6_575 ?
O15 Eu1 O6 89.4(3) 2_765 6_575 ?
O6 Eu1 O6 99.3(2) 4_445 6_575 ?
O6 Eu1 O6 99.3(2) 5_765 6_575 ?
O9 Eu1 O14 88.1(3) 7_445 . ?
O9 Eu1 O14 88.1(3) 9_675 . ?
O9 Eu1 O14 170.1(3) 8_755 . ?
O15 Eu1 O14 49.3(3) . . ?
O15 Eu1 O14 109.1(3) 3_675 . ?
O15 Eu1 O14 49.6(3) 2_765 . ?
O6 Eu1 O14 128.1(2) 4_445 . ?
O6 Eu1 O14 127.9(2) 5_765 . ?
O6 Eu1 O14 57.5(2) 6_575 . ?
O9 Eu1 O14 170.1(3) 7_445 3_675 ?
O9 Eu1 O14 88.1(3) 9_675 3_675 ?
O9 Eu1 O14 88.1(3) 8_755 3_675 ?
O15 Eu1 O14 49.6(3) . 3_675 ?
O15 Eu1 O14 49.3(3) 3_675 3_675 ?
O15 Eu1 O14 109.1(3) 2_765 3_675 ?
O6 Eu1 O14 127.9(2) 4_445 3_675 ?
O6 Eu1 O14 57.5(2) 5_765 3_675 ?
O6 Eu1 O14 128.1(2) 6_575 3_675 ?
O14 Eu1 O14 98.3(2) . 3_675 ?
O9 Eu1 O14 88.1(3) 7_445 2_765 ?
O9 Eu1 O14 170.1(3) 9_675 2_765 ?
O9 Eu1 O14 88.1(3) 8_755 2_765 ?
O15 Eu1 O14 109.1(3) . 2_765 ?
O15 Eu1 O14 49.6(3) 3_675 2_765 ?
O15 Eu1 O14 49.3(3) 2_765 2_765 ?
O6 Eu1 O14 57.5(2) 4_445 2_765 ?
O6 Eu1 O14 128.1(2) 5_765 2_765 ?
O6 Eu1 O14 127.9(2) 6_575 2_765 ?
O14 Eu1 O14 98.3(2) . 2_765 ?
O14 Eu1 O14 98.3(2) 3_675 2_765 ?
O7 Eu2 O7 81.4(3) . 3_675 ?
O7 Eu2 O7 81.4(3) . 2_765 ?
O7 Eu2 O7 81.4(3) 3_675 2_765 ?
O7 Eu2 O16 80.2(3) . 4_444 ?
O7 Eu2 O16 134.9(3) 3_675 4_444 ?
O7 Eu2 O16 135.1(3) 2_765 4_444 ?
O7 Eu2 O16 134.9(3) . 5_764 ?
O7 Eu2 O16 135.1(3) 3_675 5_764 ?
O7 Eu2 O16 80.2(3) 2_765 5_764 ?
O16 Eu2 O16 84.6(3) 4_444 5_764 ?
O7 Eu2 O16 135.1(3) . 6_574 ?
O7 Eu2 O16 80.2(3) 3_675 6_574 ?
O7 Eu2 O16 134.9(3) 2_765 6_574 ?
O16 Eu2 O16 84.6(3) 4_444 6_574 ?
O16 Eu2 O16 84.6(3) 5_764 6_574 ?
O7 Eu2 O9 50.4(3) . 3_675 ?
O7 Eu2 O9 50.3(3) 3_675 3_675 ?
O7 Eu2 O9 111.3(3) 2_765 3_675 ?
O16 Eu2 O9 86.9(3) 4_444 3_675 ?
O16 Eu2 O9 168.5(3) 5_764 3_675 ?
O16 Eu2 O9 87.0(3) 6_574 3_675 ?
O7 Eu2 O9 111.3(3) . 2_765 ?
O7 Eu2 O9 50.4(3) 3_675 2_765 ?
O7 Eu2 O9 50.3(3) 2_765 2_765 ?
O16 Eu2 O9 168.5(3) 4_444 2_765 ?
O16 Eu2 O9 87.0(3) 5_764 2_765 ?
O16 Eu2 O9 86.9(3) 6_574 2_765 ?
O9 Eu2 O9 100.3(2) 3_675 2_765 ?
O7 Eu2 O9 50.3(3) . . ?
O7 Eu2 O9 111.3(3) 3_675 . ?
O7 Eu2 O9 50.4(3) 2_765 . ?
O16 Eu2 O9 87.0(3) 4_444 . ?
O16 Eu2 O9 86.9(3) 5_764 . ?
O16 Eu2 O9 168.5(3) 6_574 . ?
O9 Eu2 O9 100.3(2) 3_675 . ?
O9 Eu2 O9 100.3(2) 2_765 . ?
O7 Eu2 B1 23.4(4) . . ?
O7 Eu2 B1 97.2(5) 3_675 . ?
O7 Eu2 B1 66.9(4) 2_765 . ?
O16 Eu2 B1 80.8(5) 4_444 . ?
O16 Eu2 B1 112.3(4) 5_764 . ?
O16 Eu2 B1 156.3(4) 6_574 . ?
O9 Eu2 B1 73.7(3) 3_675 . ?
O9 Eu2 B1 109.7(5) 2_765 . ?
O9 Eu2 B1 27.0(3) . . ?
O7 Eu2 B1 66.9(4) . 3_675 ?
O7 Eu2 B1 23.4(4) 3_675 3_675 ?
O7 Eu2 B1 97.2(5) 2_765 3_675 ?
O16 Eu2 B1 112.3(4) 4_444 3_675 ?
O16 Eu2 B1 156.3(4) 5_764 3_675 ?
O16 Eu2 B1 80.8(5) 6_574 3_675 ?
O9 Eu2 B1 27.1(3) 3_675 3_675 ?
O9 Eu2 B1 73.7(3) 2_765 3_675 ?
O9 Eu2 B1 109.7(5) . 3_675 ?
B1 Eu2 B1 87.6(7) . 3_675 ?
O7 Eu2 B1 97.2(5) . 2_765 ?
O7 Eu2 B1 66.9(4) 3_675 2_765 ?
O7 Eu2 B1 23.4(4) 2_765 2_765 ?
O16 Eu2 B1 156.3(4) 4_444 2_765 ?
O16 Eu2 B1 80.8(5) 5_764 2_765 ?
O16 Eu2 B1 112.3(4) 6_574 2_765 ?
O9 Eu2 B1 109.7(5) 3_675 2_765 ?
O9 Eu2 B1 27.1(3) 2_765 2_765 ?
O9 Eu2 B1 73.7(3) . 2_765 ?
B1 Eu2 B1 87.6(7) . 2_765 ?
B1 Eu2 B1 87.6(7) 3_675 2_765 ?
O14 Eu3 O14 85.2(3) 8_764 9_564 ?
O14 Eu3 O14 85.2(3) 8_764 7_544 ?
O14 Eu3 O14 85.2(3) 9_564 7_544 ?
O14 Eu3 O6 134.2(3) 8_764 2_765 ?
O14 Eu3 O6 78.0(3) 9_564 2_765 ?
O14 Eu3 O6 134.3(3) 7_544 2_765 ?
O14 Eu3 O6 134.3(3) 8_764 3_675 ?
O14 Eu3 O6 134.2(3) 9_564 3_675 ?
O14 Eu3 O6 78.0(3) 7_544 3_675 ?
O6 Eu3 O6 84.0(3) 2_765 3_675 ?
O14 Eu3 O6 78.0(3) 8_764 . ?
O14 Eu3 O6 134.3(3) 9_564 . ?
O14 Eu3 O6 134.2(3) 7_544 . ?
O6 Eu3 O6 84.0(3) 2_765 . ?
O6 Eu3 O6 84.0(3) 3_675 . ?
O14 Eu3 O16 50.8(3) 8_764 9_674 ?
O14 Eu3 O16 114.4(3) 9_564 9_674 ?
O14 Eu3 O16 50.8(3) 7_544 9_674 ?
O6 Eu3 O16 167.6(3) 2_765 9_674 ?
O6 Eu3 O16 86.9(3) 3_675 9_674 ?
O6 Eu3 O16 86.8(3) . 9_674 ?
O14 Eu3 O16 114.4(3) 8_764 8_754 ?
O14 Eu3 O16 50.8(3) 9_564 8_754 ?
O14 Eu3 O16 50.8(3) 7_544 8_754 ?
O6 Eu3 O16 86.9(3) 2_765 8_754 ?
O6 Eu3 O16 86.7(3) 3_675 8_754 ?
O6 Eu3 O16 167.6(3) . 8_754 ?
O16 Eu3 O16 101.0(2) 9_674 8_754 ?
O14 Eu3 O16 50.8(3) 8_764 7_444 ?
O14 Eu3 O16 50.8(3) 9_564 7_444 ?
O14 Eu3 O16 114.4(3) 7_544 7_444 ?
O6 Eu3 O16 86.7(3) 2_765 7_444 ?
O6 Eu3 O16 167.6(3) 3_675 7_444 ?
O6 Eu3 O16 86.9(3) . 7_444 ?
O16 Eu3 O16 101.0(2) 9_674 7_444 ?
O16 Eu3 O16 101.0(2) 8_754 7_444 ?
O14 Eu3 B4 67.4(4) 8_764 7_444 ?
O14 Eu3 B4 24.0(3) 9_564 7_444 ?
O14 Eu3 B4 99.4(5) 7_544 7_444 ?
O6 Eu3 B4 81.7(5) 2_765 7_444 ?
O6 Eu3 B4 156.8(4) 3_675 7_444 ?
O6 Eu3 B4 112.4(4) . 7_444 ?
O16 Eu3 B4 109.6(5) 9_674 7_444 ?
O16 Eu3 B4 74.4(3) 8_754 7_444 ?
O16 Eu3 B4 26.8(3) 7_444 7_444 ?
O14 Eu3 B4 24.0(3) 8_764 9_674 ?
O14 Eu3 B4 99.4(5) 9_564 9_674 ?
O14 Eu3 B4 67.4(4) 7_544 9_674 ?
O6 Eu3 B4 156.8(4) 2_765 9_674 ?
O6 Eu3 B4 112.4(4) 3_675 9_674 ?
O6 Eu3 B4 81.7(5) . 9_674 ?
O16 Eu3 B4 26.8(3) 9_674 9_674 ?
O16 Eu3 B4 109.6(5) 8_754 9_674 ?
O16 Eu3 B4 74.4(3) 7_444 9_674 ?
B4 Eu3 B4 87.0(7) 7_444 9_674 ?
O14 Eu3 B4 99.4(5) 8_764 8_754 ?
O14 Eu3 B4 67.4(4) 9_564 8_754 ?
O14 Eu3 B4 24.0(4) 7_544 8_754 ?
O6 Eu3 B4 112.4(4) 2_765 8_754 ?
O6 Eu3 B4 81.7(5) 3_675 8_754 ?
O6 Eu3 B4 156.8(4) . 8_754 ?
O16 Eu3 B4 74.4(3) 9_674 8_754 ?
O16 Eu3 B4 26.8(3) 8_754 8_754 ?
O16 Eu3 B4 109.6(5) 7_444 8_754 ?
B4 Eu3 B4 87.0(7) 7_444 8_754 ?
B4 Eu3 B4 87.0(7) 9_674 8_754 ?
O4 B1 O7 110.4(16) . . ?
O4 B1 O6 111.3(15) . 7_544 ?
O7 B1 O6 110.3(16) . 7_544 ?
O4 B1 O9 112.8(15) . . ?
O7 B1 O9 105.2(14) . . ?
O6 B1 O9 106.5(16) 7_544 . ?
O4 B1 Eu2 130.5(10) . . ?
O7 B1 Eu2 39.4(8) . . ?
O6 B1 Eu2 116.1(16) 7_544 . ?
O9 B1 Eu2 66.2(9) . . ?
O4 B1 Eu1 126.0(10) . 4_554 ?
O7 B1 Eu1 120.6(16) . 4_554 ?
O6 B1 Eu1 67.1(9) 7_544 4_554 ?
O9 B1 Eu1 39.4(7) . 4_554 ?
Eu2 B1 Eu1 86.0(7) . 4_554 ?
O3 B2 O6 111.8(15) . 7_444 ?
O3 B2 O7 109.5(16) . 3_675 ?
O6 B2 O7 109.9(16) 7_444 3_675 ?
O3 B2 O9 113.5(15) . 2_765 ?
O6 B2 O9 106.7(16) 7_444 2_765 ?
O7 B2 O9 105.3(14) 3_675 2_765 ?
O3 B2 Eu2 130.0(10) . . ?
O6 B2 Eu2 115.9(16) 7_444 . ?
O7 B2 Eu2 39.5(7) 3_675 . ?
O9 B2 Eu2 66.0(9) 2_765 . ?
O3 B2 Eu1 126.9(10) . 4_454 ?
O6 B2 Eu1 67.3(9) 7_444 4_454 ?
O7 B2 Eu1 120.7(16) 3_675 4_454 ?
O9 B2 Eu1 39.4(7) 2_765 4_454 ?
Eu2 B2 Eu1 86.0(7) . 4_454 ?
O2 B3 O15 110.4(16) . . ?
O2 B3 O16 111.4(15) . 3_685 ?
O15 B3 O16 110.9(16) . 3_685 ?
O2 B3 O14 111.5(16) . . ?
O15 B3 O14 106.3(15) . . ?
O16 B3 O14 106.0(16) 3_685 . ?
O2 B3 Eu3 125.5(10) . 4_455 ?
O15 B3 Eu3 121.2(17) . 4_455 ?
O16 B3 Eu3 66.3(9) 3_685 4_455 ?
O14 B3 Eu3 39.8(7) . 4_455 ?
O2 B3 Eu1 131.2(10) . . ?
O15 B3 Eu1 39.3(8) . . ?
O16 B3 Eu1 115.5(16) 3_685 . ?
O14 B3 Eu1 67.6(9) . . ?
Eu3 B3 Eu1 86.4(7) 4_455 . ?
O5 B4 O15 110.2(16) . . ?
O5 B4 O16 111.7(16) . . ?
O15 B4 O16 110.6(16) . . ?
O5 B4 O14 111.3(15) . 3_675 ?
O15 B4 O14 106.6(15) . 3_675 ?
O16 B4 O14 106.3(16) . 3_675 ?
O5 B4 Eu3 125.4(10) . 4 ?
O15 B4 Eu3 121.5(17) . 4 ?
O16 B4 Eu3 66.4(9) . 4 ?
O14 B4 Eu3 39.9(7) 3_675 4 ?
O5 B4 Eu1 130.9(11) . . ?
O15 B4 Eu1 39.5(8) . . ?
O16 B4 Eu1 115.4(16) . . ?
O14 B4 Eu1 67.6(9) 3_675 . ?
Eu3 B4 Eu1 86.4(7) 4 . ?
O4 B5 O3 123.4(14) . 1_655 ?
O4 B5 O12 117.7(15) . . ?
O3 B5 O12 118.3(15) 1_655 . ?
O5 B6 O2 122.0(14) 3_685 . ?
O5 B6 O10 117.7(15) 3_685 . ?
O2 B6 O10 119.1(15) . . ?
O12 B7 O11 118.9(16) . . ?
O12 B7 O8 116.5(15) . . ?
O11 B7 O8 117.1(14) . . ?
O10 B8 O13 118.5(14) . . ?
O10 B8 O8 115.7(16) . 2_766 ?
O13 B8 O8 118.6(14) . 2_766 ?
O1 B9 O13 132.5(19) . 3_675 ?
O1 B9 O11 108.8(17) . 1_556 ?
O13 B9 O11 118.7(17) 3_675 1_556 ?
B9 O1 B9 115.9(8) 3_675 2_765 ?
B9 O1 B9 115.9(8) 3_675 . ?
B9 O1 B9 115.9(8) 2_765 . ?
B9 O1 Ba2 101.9(11) 3_675 1_556 ?
B9 O1 Ba2 101.9(11) 2_765 1_556 ?
B9 O1 Ba2 101.9(11) . 1_556 ?
B6 O2 B3 122.7(14) . . ?
B6 O2 Ba1 131.2(12) . . ?
B3 O2 Ba1 106.0(9) . . ?
B5 O3 B2 121.1(14) 1_455 . ?
B5 O3 Ba2 132.6(13) 1_455 . ?
B2 O3 Ba2 106.3(9) . . ?
B5 O4 B1 122.1(13) . . ?
B5 O4 Ba2 132.0(12) . . ?
B1 O4 Ba2 105.8(8) . . ?
B6 O5 B4 122.1(14) 2_875 . ?
B6 O5 Ba1 131.8(12) 2_875 . ?
B4 O5 Ba1 106.1(9) . . ?
B2 O6 B1 118.7(14) 4 4_455 ?
B2 O6 Eu3 119.7(9) 4 . ?
B1 O6 Eu3 119.2(10) 4_455 . ?
B2 O6 Eu1 86.4(9) 4 7_554 ?
B1 O6 Eu1 86.5(9) 4_455 7_554 ?
Eu3 O6 Eu1 112.2(3) . 7_554 ?
B1 O7 B2 126.0(13) . 2_765 ?
B1 O7 Eu2 117.2(10) . . ?
B2 O7 Eu2 116.8(10) 2_765 . ?
B8 O8 B7 117.1(13) 3_674 . ?
B2 O9 B1 123.8(14) 3_675 . ?
B2 O9 Eu1 116.8(9) 3_675 4_554 ?
B1 O9 Eu1 116.7(9) . 4_554 ?
B2 O9 Eu2 87.1(9) 3_675 . ?
B1 O9 Eu2 86.8(9) . . ?
Eu1 O9 Eu2 113.4(3) 4_554 . ?
B8 O10 B6 141.0(15) . . ?
B7 O11 B9 120.4(14) . 1_554 ?
B7 O11 Ba2 133.3(10) . . ?
B9 O11 Ba2 106.3(11) 1_554 . ?
B7 O12 B5 144.1(14) . . ?
B8 O13 B9 119.5(14) . 2_765 ?
B8 O13 Ba1 134.3(9) . . ?
B9 O13 Ba1 106.2(11) 2_765 . ?
B4 O14 B3 126.1(14) 2_765 . ?
B4 O14 Eu3 116.1(10) 2_765 4_455 ?
B3 O14 Eu3 116.2(10) . 4_455 ?
B4 O14 Eu1 85.9(9) 2_765 . ?
B3 O14 Eu1 85.9(9) . . ?
Eu3 O14 Eu1 112.3(3) 4_455 . ?
B3 O15 B4 125.1(14) . . ?
B3 O15 Eu1 117.7(11) . . ?
B4 O15 Eu1 117.2(10) . . ?
B4 O16 B3 119.7(14) . 2_875 ?
B4 O16 Eu2 118.7(9) . 7 ?
B3 O16 Eu2 118.4(9) 2_875 7 ?
B4 O16 Eu3 86.8(9) . 4 ?
B3 O16 Eu3 86.9(9) 2_875 4 ?
Eu2 O16 Eu3 114.0(3) 7 4 ?

_refine_diff_density_max         1.947
_refine_diff_density_min         -4.697
_refine_diff_density_rms         0.346

