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#$Date: 2019-09-26 12:30:08 +0300 (Thu, 26 Sep 2019) $
#$Revision: 218876 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/42/7234200.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7234200
loop_
_publ_author_name
'Rihong Cong'
'Zhengyang Zhou'
'Qiaoqi Li'
'Junliang Sun'
'Jianhua Lin'
'Tao Yang'
_publ_section_title
;
 Approaching the structure of REBaB9O16 (RE = rare earth) by
 characterization of a new analogue Ba6Bi9B79O138
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4431
_journal_page_last               4437
_journal_paper_doi               10.1039/C5TC00560D
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'B79 Ba6 Bi9 O138'
_chemical_formula_sum            'B79 Ba6 Bi9 O138'
_chemical_formula_weight         5766.85
_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3 :H'
_atom_sites_solution_hydrogens   .
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.8406(11)
_cell_length_b                   7.8406(11)
_cell_length_c                   46.557(9)
_cell_measurement_temperature    293(2)
_cell_volume                     2478.6(7)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.951
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0538
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       69
_diffrn_reflns_limit_l_min       -63
_diffrn_reflns_number            7268
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.892
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.593
_diffrn_reflns_theta_min         2.625
_exptl_absorpt_coefficient_mu    18.442
_exptl_crystal_density_diffrn    3.863
_exptl_crystal_description       ' '
_exptl_crystal_F_000             2582
_refine_diff_density_max         3.060
_refine_diff_density_min         -5.419
_refine_diff_density_rms         0.493
_refine_ls_abs_structure_details
;
 Flack x determined using 1510 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.53(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     113
_refine_ls_number_reflns         3905
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0849P)²+8.3513P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1290
_refine_ls_wR_factor_ref         0.1326
_reflns_Friedel_coverage         0.875
_reflns_Friedel_fraction_full    0.959
_reflns_Friedel_fraction_max     0.832
_reflns_number_gt                3487
_reflns_number_total             3905
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            J-Mater-Chem-C-2015-3-4431.cif
_cod_data_source_block           28
_cod_original_cell_volume        2478.6(9)
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               7234200
_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.
;
_olex2_refinement_description
;
1. Others
 Fixed Sof: B9(0.77777)
 Fixed Z: Bi1(0.166)
;
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'
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 0.0000 0.0000 0.1660 0.0070(2) Uani 1 3 d S T P . .
Bi2 Bi 0.0000 0.0000 0.83060(2) 0.0070(2) Uani 1 3 d S T P . .
Bi3 Bi 0.0000 0.0000 0.49833(4) 0.00539(14) Uani 1 3 d S T P . .
Ba1 Ba 0.0000 0.0000 0.06918(10) 0.0118(3) Uani 1 3 d S T P . .
Ba2 Ba 0.0000 0.0000 0.92743(10) 0.0146(4) Uani 1 3 d S T P . .
O2 O 0.0003(15) -0.3493(17) 0.0893(4) 0.007(3) Uiso 1 1 d . . . . .
O3 O 0.3446(17) -0.0023(16) 0.9062(4) 0.008(3) Uiso 1 1 d . . . . .
O4 O -0.3441(16) 0.0062(15) 0.9064(4) 0.008(3) Uiso 1 1 d . . . . .
O5 O -0.3454(15) -0.3531(16) 0.0893(3) 0.006(2) Uiso 1 1 d . . . . .
O6 O -0.1329(19) -0.266(2) 0.5308(3) 0.013(3) Uiso 1 1 d . . . . .
O7 O -0.1333(17) 0.1303(17) 0.8662(2) 0.004(2) Uiso 1 1 d . . . . .
O8 O -0.524(2) -0.0473(17) 0.9983(3) 0.041(3) Uiso 1 1 d . . . . .
O9 O -0.3882(15) -0.1939(15) 0.8631(2) 0.005(2) Uiso 1 1 d . . . . .
O10 O -0.031(2) -0.519(2) 0.0468(4) 0.041(3) Uiso 1 1 d . . . . .
O11 O -0.259(3) -0.003(3) 0.9731(4) 0.065(4) Uiso 1 1 d . . . . .
O12 O -0.490(2) 0.027(2) 0.9500(4) 0.041(3) Uiso 1 1 d . . . . .
O13 O 0.004(2) -0.255(3) 0.0238(4) 0.056(4) Uiso 1 1 d . . . . .
O14 O -0.5278(14) -0.4726(14) 0.1351(2) 0.0011(18) Uiso 1 1 d . . . . .
O15 O 0.131(2) -0.135(2) 0.1290(3) 0.012(3) Uiso 1 1 d . . . . .
O16 O -0.2007(16) -0.4031(17) 0.1309(2) 0.007(2) Uiso 1 1 d . . . . .
B1 B -0.332(2) 0.008(2) 0.8753(4) 0.004(4) Uiso 1 1 d . . . . .
B2 B 0.340(2) 0.004(2) 0.8756(5) 0.002(4) Uiso 1 1 d . . . . .
B3 B -0.003(3) -0.336(3) 0.1214(7) 0.010(5) Uiso 1 1 d . . . . .
B4 B -0.333(2) -0.343(2) 0.1208(4) 0.005(4) Uiso 1 1 d . . . . .
B5 B -0.497(3) -0.001(3) 0.9200(5) 0.014(4) Uiso 1 1 d . . . . .
B6 B -0.005(3) -0.500(3) 0.0755(4) 0.011(4) Uiso 1 1 d . . . . .
B7 B -0.418(4) 0.005(4) 0.9722(6) 0.052(6) Uiso 1 1 d . . . . .
B8 B 0.014(4) -0.407(5) 0.0240(7) 0.058(6) Uiso 1 1 d . . . . .
O1 O 0.0000 0.0000 -0.0044(8) 0.042(5) Uiso 1 3 d S T P . .
B9 B -0.166(8) -0.006(8) -0.0019(12) 0.086(13) Uiso 0.7778 1 d . . . . .
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'
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
O9 Bi1 O9 87.7(4) 4_554 6_444
O9 Bi1 O9 87.7(4) 4_554 5_454
O9 Bi1 O9 87.7(4) 6_444 5_454
O9 Bi1 O15 96.9(4) 4_554 2
O9 Bi1 O15 96.9(4) 6_444 .
O9 Bi1 O15 97.4(4) 5_454 2
O9 Bi1 O15 173.2(4) 6_444 2
O9 Bi1 O15 173.2(4) 4_554 3
O9 Bi1 O15 97.4(4) 4_554 .
O9 Bi1 O15 97.4(4) 6_444 3
O9 Bi1 O15 96.9(4) 5_454 3
O9 Bi1 O15 173.2(4) 5_454 .
O15 Bi1 O15 77.6(5) 3 .
O15 Bi1 O15 77.6(5) 2 .
O15 Bi1 O15 77.6(5) 3 2
O7 Bi2 O7 78.9(4) . 2
O7 Bi2 O7 78.9(4) 3 2
O7 Bi2 O7 78.9(4) . 3
O16 Bi2 O7 99.8(4) 7 .
O16 Bi2 O7 99.8(4) 9_545 3
O16 Bi2 O7 177.8(4) 7 2
O16 Bi2 O7 99.8(4) 8_445 2
O16 Bi2 O7 99.2(4) 9_545 2
O16 Bi2 O7 177.8(4) 9_545 .
O16 Bi2 O7 99.2(4) 8_445 .
O16 Bi2 O7 99.2(4) 7 3
O16 Bi2 O7 177.8(4) 8_445 3
O16 Bi2 O16 82.1(4) 8_445 9_545
O16 Bi2 O16 82.1(4) 7 9_545
O16 Bi2 O16 82.1(4) 8_445 7
O6 Bi3 O6 83.3(5) 3 .
O6 Bi3 O6 83.3(5) 2 .
O6 Bi3 O6 83.3(5) 2 3
O14 Bi3 O6 176.6(5) 6_445 2
O14 Bi3 O6 94.2(4) 4 2
O14 Bi3 O6 94.2(4) 6_445 .
O14 Bi3 O6 94.1(4) 4 .
O14 Bi3 O6 94.1(4) 5_455 2
O14 Bi3 O6 176.6(5) 5_455 .
O14 Bi3 O6 94.1(4) 6_445 3
O14 Bi3 O6 94.2(4) 5_455 3
O14 Bi3 O6 176.6(5) 4 3
O14 Bi3 O14 88.4(4) 4 6_445
O14 Bi3 O14 88.4(4) 4 5_455
O14 Bi3 O14 88.3(4) 6_445 5_455
O2 Ba1 O2 110.1(4) 2 3
O2 Ba1 O2 110.1(4) 3 .
O2 Ba1 O2 110.1(4) 2 .
O2 Ba1 O13 124.6(4) . 2
O2 Ba1 O13 65.2(5) 3 3
O2 Ba1 O13 65.2(5) 2 2
O2 Ba1 O13 124.6(4) 3 .
O2 Ba1 O13 123.6(4) . 3
O2 Ba1 O13 65.2(5) . .
O2 Ba1 O13 123.6(4) 3 2
O2 Ba1 O13 124.6(4) 2 3
O2 Ba1 O13 123.6(4) 2 .
O5 Ba1 O2 55.5(3) 3 3
O5 Ba1 O2 142.3(5) 3 .
O5 Ba1 O2 55.5(3) 2 2
O5 Ba1 O2 142.3(5) . 2
O5 Ba1 O2 142.3(5) 2 3
O5 Ba1 O2 55.5(3) . .
O5 Ba1 O2 57.4(3) . 3
O5 Ba1 O2 57.4(3) 2 .
O5 Ba1 O2 57.4(3) 3 2
O5 Ba1 O5 110.1(3) . 2
O5 Ba1 O5 110.1(3) . 3
O5 Ba1 O5 110.1(3) 2 3
O5 Ba1 O13 84.9(4) 3 2
O5 Ba1 O13 152.6(5) 3 .
O5 Ba1 O13 152.5(5) . 2
O5 Ba1 O13 84.8(4) . 3
O5 Ba1 O13 152.6(5) 2 3
O5 Ba1 O13 84.5(4) 3 3
O5 Ba1 O13 84.5(4) . .
O5 Ba1 O13 84.9(4) 2 .
O5 Ba1 O13 84.5(4) 2 2
O13 Ba1 O13 73.5(6) . 2
O13 Ba1 O13 73.5(6) . 3
O13 Ba1 O13 73.5(6) 3 2
O3 Ba2 O3 108.9(4) . 3
O3 Ba2 O3 108.9(4) . 2
O3 Ba2 O3 108.9(4) 3 2
O3 Ba2 O4 56.6(3) . 2
O3 Ba2 O4 140.2(5) 3 3
O3 Ba2 O4 140.2(5) . .
O3 Ba2 O4 55.6(3) 3 2
O3 Ba2 O4 56.6(3) 2 3
O3 Ba2 O4 140.2(5) 2 2
O3 Ba2 O4 56.6(3) 3 .
O3 Ba2 O4 55.6(3) . 3
O3 Ba2 O4 55.6(3) 2 .
O3 Ba2 O11 153.6(6) . .
O3 Ba2 O11 153.5(6) 3 3
O3 Ba2 O11 86.1(5) 3 2
O3 Ba2 O11 85.1(5) 3 .
O3 Ba2 O11 85.1(5) . 2
O3 Ba2 O11 86.1(5) 2 .
O3 Ba2 O11 153.5(6) 2 2
O3 Ba2 O11 86.1(5) . 3
O3 Ba2 O11 85.1(5) 2 3
O3 Ba2 O1 110.0(4) 3 1_556
O3 Ba2 O1 110.0(4) 2 1_556
O3 Ba2 O1 110.0(4) . 1_556
O4 Ba2 O4 109.1(3) 3 .
O4 Ba2 O4 109.1(3) 2 .
O4 Ba2 O4 109.1(3) 2 3
O4 Ba2 O11 66.2(5) 3 3
O4 Ba2 O11 123.7(5) 3 2
O4 Ba2 O11 125.7(4) 2 3
O4 Ba2 O11 123.7(5) 2 .
O4 Ba2 O11 66.2(5) . .
O4 Ba2 O11 125.7(5) 3 .
O4 Ba2 O11 123.7(5) . 3
O4 Ba2 O11 66.2(5) 2 2
O4 Ba2 O11 125.7(4) . 2
O4 Ba2 O1 109.8(3) . 1_556
O4 Ba2 O1 109.8(3) 3 1_556
O4 Ba2 O1 109.8(3) 2 1_556
O11 Ba2 O11 73.3(6) . 2
O11 Ba2 O11 73.3(6) . 3
O11 Ba2 O11 73.3(6) 3 2
O11 Ba2 O1 43.6(4) . 1_556
O11 Ba2 O1 43.6(4) 3 1_556
O11 Ba2 O1 43.6(4) 2 1_556
B3 O2 Ba1 104.4(9) . .
B6 O2 Ba1 132.3(14) . .
B6 O2 B3 123.3(16) . .
B2 O3 Ba2 107.6(9) . .
B5 O3 Ba2 132.7(15) 1_655 .
B5 O3 B2 119.7(15) 1_655 .
B1 O4 Ba2 106.3(8) . .
B5 O4 Ba2 131.8(13) . .
B5 O4 B1 121.8(15) . .
B4 O5 Ba1 105.4(8) . .
B6 O5 Ba1 132.9(12) 2_445 .
B6 O5 B4 121.7(14) 2_445 .
B1 O6 Bi3 116.4(10) 7_544 .
B1 O6 B2 124.6(14) 7_544 7_444
B2 O6 Bi3 117.7(10) 7_444 .
B1 O7 Bi2 118.4(10) . .
B1 O7 B2 124.5(13) . 2
B2 O7 Bi2 117.1(9) 2 .
B8 O8 B7 119(2) 3_556 .
B1 O9 Bi1 115.2(8) . 7_445
B2 O9 Bi1 114.6(9) 3 7_445
B2 O9 B1 126.6(12) 3 .
B8 O10 B6 139(2) . .
B7 O11 Ba2 131.7(15) . .
B7 O11 B9 125(3) . 1_556
B9 O11 Ba2 104(3) 1_556 .
B7 O12 B5 143(2) . .
B8 O13 Ba1 133.2(16) . .
B8 O13 B9 122(3) . 2
B9 O13 Ba1 105(2) 2 .
B3 O14 Bi3 117.8(9) 2_445 7_444
B3 O14 B4 118.0(13) 2_445 .
B4 O14 Bi3 119.8(8) . 7_444
B3 O15 Bi1 113.8(12) . .
B3 O15 B4 133.2(15) . 2
B4 O15 Bi1 112.8(10) 2 .
B3 O16 Bi2 116.4(11) . 4_444
B4 O16 Bi2 115.6(9) . 4_444
B4 O16 B3 127.7(14) . .
O4 B1 O9 112.1(12) . .
O6 B1 O4 108.1(13) 4_455 .
O6 B1 O9 108.4(12) 4_455 .
O7 B1 O4 110.6(13) . .
O7 B1 O6 113.9(13) . 4_455
O7 B1 O9 103.8(11) . .
O3 B2 O6 110.0(14) . 4
O3 B2 O7 110.2(13) . 3
O3 B2 O9 111.6(13) . 2
O6 B2 O7 111.8(14) 4 3
O6 B2 O9 109.7(14) 4 2
O7 B2 O9 103.4(12) 3 2
O2 B3 O14 110.5(15) . 3_545
O15 B3 O2 107.0(16) . .
O15 B3 O14 111.1(17) . 3_545
O16 B3 O2 109.7(16) . .
O16 B3 O14 105.5(15) . 3_545
O16 B3 O15 113.0(15) . .
O5 B4 O14 112.8(12) . .
O5 B4 O15 106.8(13) . 3
O14 B4 O15 108.2(12) . 3
O16 B4 O5 110.5(12) . .
O16 B4 O14 107.0(12) . .
O16 B4 O15 111.6(12) . 3
O3 B5 O12 115.0(18) 1_455 .
O4 B5 O3 124.3(18) . 1_455
O4 B5 O12 119.8(19) . .
O2 B6 O5 123.0(18) . 3_545
O2 B6 O10 120.7(18) . .
O10 B6 O5 115.9(17) . 3_545
O11 B7 O8 114(2) . .
O12 B7 O8 121(2) . .
O12 B7 O11 124(2) . .
O10 B8 O8 118(3) . 2_554
O13 B8 O8 119(2) . 2_554
O13 B8 O10 122(3) . .
B9 O1 Ba2 95(3) 3 1_554
B9 O1 Ba2 95(3) 2 1_554
B9 O1 Ba2 95(3) . 1_554
B9 O1 B9 119.2(10) 3 2
B9 O1 B9 119.2(10) . 2
B9 O1 B9 119.2(10) 3 .
O11 B9 O13 115(4) 1_554 3
O1 B9 O11 118(5) . 1_554
O1 B9 O13 127(5) . 3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 O9 2.363(11) 4_554
Bi1 O9 2.363(11) 6_444
Bi1 O9 2.363(11) 5_454
Bi1 O15 2.494(14) 2
Bi1 O15 2.494(14) .
Bi1 O15 2.494(14) 3
Bi2 O7 2.439(12) .
Bi2 O7 2.439(12) 3
Bi2 O7 2.439(12) 2
Bi2 O16 2.359(11) 8_445
Bi2 O16 2.359(11) 7
Bi2 O16 2.359(11) 9_545
Bi3 O6 2.357(14) 3
Bi3 O6 2.357(14) .
Bi3 O6 2.357(14) 2
Bi3 O14 2.347(10) 4
Bi3 O14 2.348(10) 6_445
Bi3 O14 2.348(10) 5_455
Ba1 O2 2.896(13) 3
Ba1 O2 2.896(13) 2
Ba1 O2 2.896(13) .
Ba1 O5 2.894(12) 2
Ba1 O5 2.894(12) .
Ba1 O5 2.894(12) 3
Ba1 O13 2.922(18) .
Ba1 O13 2.922(18) 3
Ba1 O13 2.922(18) 2
Ba2 O3 2.885(14) 3
Ba2 O3 2.885(14) 2
Ba2 O3 2.885(14) .
Ba2 O4 2.893(12) 2
Ba2 O4 2.893(13) 3
Ba2 O4 2.893(12) .
Ba2 O11 2.93(2) .
Ba2 O11 2.93(2) 2
Ba2 O11 2.93(2) 3
Ba2 O1 3.17(4) 1_556
O2 B3 1.50(4) .
O2 B6 1.33(2) .
O3 B2 1.43(3) .
O3 B5 1.39(3) 1_655
O4 B1 1.45(3) .
O4 B5 1.33(3) .
O5 B4 1.47(3) .
O5 B6 1.36(2) 2_445
O6 B1 1.44(2) 7_544
O6 B2 1.44(2) 7_444
O7 B1 1.424(19) .
O7 B2 1.48(2) 2
O8 B7 1.41(3) .
O8 B8 1.39(3) 3_556
O9 Bi1 2.363(11) 7_445
O9 B1 1.528(19) .
O9 B2 1.511(19) 3
O10 B6 1.35(3) .
O10 B8 1.31(3) .
O11 B7 1.28(4) .
O11 B9 1.38(6) 1_556
O12 B5 1.41(3) .
O12 B7 1.23(3) .
O13 B8 1.23(4) .
O13 B9 1.41(6) 2
O14 Bi3 2.347(10) 7_444
O14 B3 1.50(2) 2_445
O14 B4 1.500(18) .
O15 B3 1.44(2) .
O15 B4 1.52(2) 2
O16 Bi2 2.359(11) 4_444
O16 B3 1.43(2) .
O16 B4 1.420(18) .
B1 O6 1.44(2) 4_455
B2 O6 1.44(2) 4
B2 O7 1.481(19) 3
B2 O9 1.511(19) 2
B3 O14 1.50(2) 3_545
B4 O15 1.52(2) 3
B5 O3 1.39(3) 1_455
B6 O5 1.36(2) 3_545
B8 O8 1.39(3) 2_554
O1 Ba2 3.17(4) 1_554
O1 B9 1.28(5) .
O1 B9 1.28(5) 2
O1 B9 1.28(5) 3
B9 O11 1.38(6) 1_554
B9 O13 1.41(6) 3
