#------------------------------------------------------------------------------
#$Date: 2025-08-04 10:03:09 +0300 (Mon, 04 Aug 2025) $
#$Revision: 301442 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/60/7056079.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_7056079
loop_
_publ_author_name
'Dong, Lingyun'
'Jia, Liangliang'
'Wang, Lijun'
_publ_section_title
;
 New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram:
 syntheses and structures of β-Pb6B10O21 and Pb4B8O16
;
_journal_issue                   11
_journal_name_full               'New J. Chem.'
_journal_page_first              4291
_journal_page_last               4294
_journal_paper_doi               10.1039/C7NJ00203C
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'Ba2 O10 Pb S Si2'
_chemical_formula_weight         730.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc11jc31
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-10-28 deposited with the CCDC.
2017-03-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2520(11)
_cell_length_b                   5.4841(8)
_cell_length_c                   24.352(4)
_cell_measurement_reflns_used    1054
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.80
_cell_measurement_theta_min      3.27
_cell_volume                     968.5(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            5705
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    25.886
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6921
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   Face-indexed
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.007
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.105
_exptl_crystal_size_mid          0.077
_exptl_crystal_size_min          0.039
_refine_diff_density_max         1.543
_refine_diff_density_min         -1.432
_refine_diff_density_rms         0.321
_refine_ls_extinction_coef       0.00073(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     89
_refine_ls_number_reflns         1229
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0297
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0224P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0608
_reflns_number_gt                986
_reflns_number_total             1229
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7nj00203c2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        968.5(2)
_cod_original_sg_symbol_H-M      'Pnma '
_cod_database_code               7056079
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pb1 Pb 0.64505(6) 1.2500 0.202712(18) 0.01217(14) Uani 1 2 d S
Ba1 Ba 1.13906(10) 1.2500 0.10988(3) 0.01221(18) Uani 1 2 d S
Ba2 Ba 0.66073(9) 0.7500 0.07098(3) 0.01047(17) Uani 1 2 d S
S1 S 1.2093(4) 0.7500 0.01407(12) 0.0105(6) Uani 1 2 d S
Si1 Si 0.8713(4) 0.7500 0.31774(13) 0.0100(6) Uani 1 2 d S
Si2 Si 0.9343(4) 0.7500 0.18640(12) 0.0092(6) Uani 1 2 d S
O1 O 0.8508(8) 0.9901(9) 0.1593(2) 0.0189(13) Uani 1 1 d .
O2 O 1.3160(7) 0.9682(9) 0.0296(2) 0.0150(12) Uani 1 1 d .
O3 O 0.6539(12) 0.7500 0.3264(4) 0.041(3) Uani 1 2 d SU
O4 O 1.1859(11) 0.7500 -0.0460(3) 0.0206(19) Uani 1 2 d S
O5 O 1.0341(12) 0.7500 0.0425(4) 0.025(2) Uani 1 2 d S
O6 O 0.9491(8) 0.9928(8) 0.3456(2) 0.0188(13) Uani 1 1 d U
O7 O 0.9122(11) 0.7500 0.2523(3) 0.023(2) Uani 1 2 d SU
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'
Pb Pb -3.3944 10.1111 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/C4CE00527A 2014
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
O1 Pb1 O1 75.9(3) . 7_585
O1 Pb1 O6 77.8(2) . 6_556
O1 Pb1 O6 122.4(2) 7_585 6_556
O1 Pb1 O6 122.4(2) . 4_475
O1 Pb1 O6 77.8(2) 7_585 4_475
O6 Pb1 O6 74.8(3) 6_556 4_475
O1 Pb1 Ba2 92.02(14) . 1_565
O1 Pb1 Ba2 40.26(15) 7_585 1_565
O6 Pb1 Ba2 91.48(13) 6_556 1_565
O6 Pb1 Ba2 40.26(15) 4_475 1_565
O1 Ba1 O1 61.2(2) . 7_585
O1 Ba1 O2 111.14(15) . .
O1 Ba1 O2 157.17(16) 7_585 .
O1 Ba1 O2 157.17(16) . 7_585
O1 Ba1 O2 111.14(15) 7_585 7_585
O2 Ba1 O2 66.9(2) . 7_585
O1 Ba1 O4 67.28(18) . 5_775
O1 Ba1 O4 67.28(18) 7_585 5_775
O2 Ba1 O4 89.89(18) . 5_775
O2 Ba1 O4 89.89(18) 7_585 5_775
O1 Ba1 O6 132.31(17) . 4_575
O1 Ba1 O6 99.94(15) 7_585 4_575
O2 Ba1 O6 100.12(15) . 4_575
O2 Ba1 O6 68.48(16) 7_585 4_575
O4 Ba1 O6 149.63(11) 5_775 4_575
O1 Ba1 O6 99.94(15) . 6_656
O1 Ba1 O6 132.31(17) 7_585 6_656
O2 Ba1 O6 68.48(16) . 6_656
O2 Ba1 O6 100.12(15) 7_585 6_656
O4 Ba1 O6 149.63(11) 5_775 6_656
O6 Ba1 O6 58.94(19) 4_575 6_656
O1 Ba1 O3 104.9(2) . 6_666
O1 Ba1 O3 51.1(2) 7_585 6_666
O2 Ba1 O3 143.8(2) . 6_666
O2 Ba1 O3 81.3(2) 7_585 6_666
O4 Ba1 O3 107.44(17) 5_775 6_666
O6 Ba1 O3 50.2(2) 4_575 6_666
O6 Ba1 O3 102.41(19) 6_656 6_666
O1 Ba1 O3 51.1(2) . 6_656
O1 Ba1 O3 104.9(2) 7_585 6_656
O2 Ba1 O3 81.3(2) . 6_656
O2 Ba1 O3 143.8(2) 7_585 6_656
O4 Ba1 O3 107.44(17) 5_775 6_656
O6 Ba1 O3 102.41(19) 4_575 6_656
O6 Ba1 O3 50.2(2) 6_656 6_656
O3 Ba1 O3 120.8(3) 6_666 6_656
O1 Ba1 O5 67.48(18) . .
O1 Ba1 O5 117.79(18) 7_585 .
O2 Ba1 O5 45.37(17) . .
O2 Ba1 O5 102.59(17) 7_585 .
O4 Ba1 O5 62.06(15) 5_775 .
O6 Ba1 O5 141.37(18) 4_575 .
O6 Ba1 O5 87.70(17) 6_656 .
O3 Ba1 O5 168.5(2) 6_666 .
O3 Ba1 O5 61.8(2) 6_656 .
O1 Ba1 O5 117.79(18) . 1_565
O1 Ba1 O5 67.48(18) 7_585 1_565
O2 Ba1 O5 102.59(17) . 1_565
O2 Ba1 O5 45.37(17) 7_585 1_565
O4 Ba1 O5 62.06(15) 5_775 1_565
O6 Ba1 O5 87.70(17) 4_575 1_565
O6 Ba1 O5 141.37(18) 6_656 1_565
O3 Ba1 O5 61.8(2) 6_666 1_565
O3 Ba1 O5 168.5(2) 6_656 1_565
O5 Ba1 O5 113.2(3) . 1_565
O1 Ba1 Si2 81.88(11) . 1_565
O1 Ba1 Si2 24.59(12) 7_585 1_565
O2 Ba1 Si2 163.97(12) . 1_565
O2 Ba1 Si2 97.39(11) 7_585 1_565
O4 Ba1 Si2 86.64(12) 5_775 1_565
O6 Ba1 Si2 75.84(12) 4_575 1_565
O6 Ba1 Si2 119.87(12) 6_656 1_565
O3 Ba1 Si2 26.48(17) 6_666 1_565
O3 Ba1 Si2 114.69(17) 6_656 1_565
O5 Ba1 Si2 142.33(15) . 1_565
O5 Ba1 Si2 62.06(13) 1_565 1_565
O5 Ba2 O6 133.87(18) . 6_556
O5 Ba2 O6 133.87(18) . 4_465
O6 Ba2 O6 55.23(19) 6_556 4_465
O5 Ba2 O1 73.8(2) . .
O6 Ba2 O1 60.98(15) 6_556 .
O6 Ba2 O1 86.55(16) 4_465 .
O5 Ba2 O1 73.8(2) . 7_575
O6 Ba2 O1 86.55(16) 6_556 7_575
O6 Ba2 O1 60.98(15) 4_465 7_575
O1 Ba2 O1 54.5(2) . 7_575
O5 Ba2 O2 74.58(18) . 3_745
O6 Ba2 O2 151.02(16) 6_556 3_745
O6 Ba2 O2 112.40(15) 4_465 3_745
O1 Ba2 O2 147.99(16) . 3_745
O1 Ba2 O2 111.09(14) 7_575 3_745
O5 Ba2 O2 74.58(18) . 5_775
O6 Ba2 O2 112.40(15) 6_556 5_775
O6 Ba2 O2 151.02(16) 4_465 5_775
O1 Ba2 O2 111.09(14) . 5_775
O1 Ba2 O2 147.99(16) 7_575 5_775
O2 Ba2 O2 64.4(2) 3_745 5_775
O5 Ba2 O2 137.42(18) . 7_475
O6 Ba2 O2 88.67(15) 6_556 7_475
O6 Ba2 O2 66.45(15) 4_465 7_475
O1 Ba2 O2 148.02(16) . 7_475
O1 Ba2 O2 118.45(14) 7_575 7_475
O2 Ba2 O2 62.91(18) 3_745 7_475
O2 Ba2 O2 88.68(11) 5_775 7_475
O5 Ba2 O2 137.42(18) . 1_455
O6 Ba2 O2 66.45(15) 6_556 1_455
O6 Ba2 O2 88.67(15) 4_465 1_455
O1 Ba2 O2 118.45(14) . 1_455
O1 Ba2 O2 148.02(16) 7_575 1_455
O2 Ba2 O2 88.68(11) 3_745 1_455
O2 Ba2 O2 62.91(18) 5_775 1_455
O2 Ba2 O2 47.88(19) 7_475 1_455
O5 Ba2 O4 66.00(14) . 5_775
O6 Ba2 O4 85.31(17) 6_556 5_775
O6 Ba2 O4 139.44(18) 4_465 5_775
O1 Ba2 O4 63.77(19) . 5_775
O1 Ba2 O4 112.95(18) 7_575 5_775
O2 Ba2 O4 106.98(18) 3_745 5_775
O2 Ba2 O4 47.56(19) 5_775 5_775
O2 Ba2 O4 127.71(18) 7_475 5_775
O2 Ba2 O4 82.82(17) 1_455 5_775
O5 Ba2 O4 66.00(14) . 5_765
O6 Ba2 O4 139.44(18) 6_556 5_765
O6 Ba2 O4 85.31(17) 4_465 5_765
O1 Ba2 O4 112.95(18) . 5_765
O1 Ba2 O4 63.77(19) 7_575 5_765
O2 Ba2 O4 47.56(18) 3_745 5_765
O2 Ba2 O4 106.98(18) 5_775 5_765
O2 Ba2 O4 82.82(17) 7_475 5_765
O2 Ba2 O4 127.71(18) 1_455 5_765
O4 Ba2 O4 130.4(3) 5_775 5_765
O5 Ba2 Si1 142.14(19) . 6_556
O6 Ba2 Si1 27.62(10) 6_556 6_556
O6 Ba2 Si1 27.62(10) 4_465 6_556
O1 Ba2 Si1 72.67(13) . 6_556
O1 Ba2 Si1 72.67(13) 7_575 6_556
O2 Ba2 Si1 134.68(11) 3_745 6_556
O2 Ba2 Si1 134.68(11) 5_775 6_556
O2 Ba2 Si1 75.58(12) 7_475 6_556
O2 Ba2 Si1 75.58(12) 1_455 6_556
O4 Ba2 Si1 112.62(15) 5_775 6_556
O4 Ba2 Si1 112.62(15) 5_765 6_556
O5 S1 O4 111.9(5) . .
O5 S1 O2 109.8(3) . .
O4 S1 O2 108.4(3) . .
O5 S1 O2 109.8(3) . 7_575
O4 S1 O2 108.4(3) . 7_575
O2 S1 O2 108.5(5) . 7_575
O5 S1 Ba2 128.5(4) . 1_655
O4 S1 Ba2 119.6(3) . 1_655
O2 S1 Ba2 54.3(2) . 1_655
O2 S1 Ba2 54.3(2) 7_575 1_655
O5 S1 Ba2 120.68(18) . 5_765
O4 S1 Ba2 56.85(13) . 5_765
O2 S1 Ba2 129.4(3) . 5_765
O2 S1 Ba2 52.1(2) 7_575 5_765
Ba2 S1 Ba2 89.03(5) 1_655 5_765
O5 S1 Ba2 120.68(18) . 5_775
O4 S1 Ba2 56.85(13) . 5_775
O2 S1 Ba2 52.1(2) . 5_775
O2 S1 Ba2 129.4(3) 7_575 5_775
Ba2 S1 Ba2 89.03(5) 1_655 5_775
Ba2 S1 Ba2 100.62(7) 5_765 5_775
O5 S1 Ba1 64.5(2) . 1_545
O4 S1 Ba1 128.40(10) . 1_545
O2 S1 Ba1 121.4(3) . 1_545
O2 S1 Ba1 45.3(2) 7_575 1_545
Ba2 S1 Ba1 83.04(5) 1_655 1_545
Ba2 S1 Ba1 80.195(17) 5_765 1_545
Ba2 S1 Ba1 172.02(9) 5_775 1_545
O3 Si1 O6 107.1(3) . .
O3 Si1 O6 107.1(3) . 7_575
O6 Si1 O6 112.9(5) . 7_575
O3 Si1 O7 108.1(5) . .
O6 Si1 O7 110.7(3) . .
O6 Si1 O7 110.7(3) 7_575 .
O3 Si1 Ba2 120.2(4) . 6_656
O6 Si1 Ba2 56.5(2) . 6_656
O6 Si1 Ba2 56.5(2) 7_575 6_656
O7 Si1 Ba2 131.7(3) . 6_656
O3 Si1 Ba1 58.78(19) . 6_546
O6 Si1 Ba1 125.5(3) . 6_546
O6 Si1 Ba1 48.3(2) 7_575 6_546
O7 Si1 Ba1 123.81(15) . 6_546
Ba2 Si1 Ba1 84.33(6) 6_656 6_546
O3 Si1 Ba1 58.78(19) . 6_556
O6 Si1 Ba1 48.3(2) . 6_556
O6 Si1 Ba1 125.5(3) 7_575 6_556
O7 Si1 Ba1 123.81(15) . 6_556
Ba2 Si1 Ba1 84.33(6) 6_656 6_556
Ba1 Si1 Ba1 96.72(8) 6_546 6_556
O1 Si2 O1 111.6(5) 7_575 .
O1 Si2 O7 112.0(3) 7_575 .
O1 Si2 O7 112.0(3) . .
O1 Si2 O3 107.1(3) 7_575 6_656
O1 Si2 O3 107.1(3) . 6_656
O7 Si2 O3 106.7(5) . 6_656
O1 Si2 Ba1 47.0(2) 7_575 1_545
O1 Si2 Ba1 124.5(3) . 1_545
O7 Si2 Ba1 123.44(14) . 1_545
O3 Si2 Ba1 60.04(19) 6_656 1_545
Si2 O1 Pb1 124.3(3) . .
Si2 O1 Ba1 108.4(3) . .
Pb1 O1 Ba1 111.31(19) . .
Si2 O1 Ba2 96.5(2) . .
Pb1 O1 Ba2 108.3(2) . .
Ba1 O1 Ba2 105.65(19) . .
S1 O2 Ba1 112.7(3) . .
S1 O2 Ba2 104.2(3) . 5_775
Ba1 O2 Ba2 108.77(17) . 5_775
S1 O2 Ba2 101.7(3) . 1_655
Ba1 O2 Ba2 111.94(18) . 1_655
Ba2 O2 Ba2 117.09(18) 5_775 1_655
Si1 O3 Si2 161.4(7) . 6_556
Si1 O3 Ba1 95.7(3) . 6_556
Si2 O3 Ba1 93.5(2) 6_556 6_556
Si1 O3 Ba1 95.7(3) . 6_546
Si2 O3 Ba1 93.5(2) 6_556 6_546
Ba1 O3 Ba1 120.8(3) 6_556 6_546
S1 O4 Ba1 130.0(4) . 5_775
S1 O4 Ba2 99.1(2) . 5_775
Ba1 O4 Ba2 101.33(17) 5_775 5_775
S1 O4 Ba2 99.1(2) . 5_765
Ba1 O4 Ba2 101.33(17) 5_775 5_765
Ba2 O4 Ba2 130.4(3) 5_775 5_765
S1 O5 Ba2 165.8(6) . .
S1 O5 Ba1 92.0(3) . .
Ba2 O5 Ba1 95.76(17) . .
S1 O5 Ba1 92.0(3) . 1_545
Ba2 O5 Ba1 95.76(17) . 1_545
Ba1 O5 Ba1 113.2(3) . 1_545
Si1 O6 Pb1 120.4(3) . 6_656
Si1 O6 Ba1 107.1(3) . 6_556
Pb1 O6 Ba1 111.88(18) 6_656 6_556
Si1 O6 Ba2 95.9(2) . 6_656
Pb1 O6 Ba2 108.2(2) 6_656 6_656
Ba1 O6 Ba2 112.33(19) 6_556 6_656
Si2 O7 Si1 175.1(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O1 2.319(5) .
Pb1 O1 2.319(5) 7_585
Pb1 O6 2.323(5) 6_556
Pb1 O6 2.323(5) 4_475
Ba1 O1 2.801(6) .
Ba1 O1 2.801(6) 7_585
Ba1 O2 2.803(5) .
Ba1 O2 2.803(5) 7_585
Ba1 O4 2.823(8) 5_775
Ba1 O6 2.867(6) 4_575
Ba1 O6 2.867(6) 6_656
Ba1 O3 3.153(5) 6_666
Ba1 O3 3.153(5) 6_656
Ba1 O5 3.285(5) .
Ba1 O5 3.285(5) 1_565
Ba2 O5 2.795(8) .
Ba2 O6 2.873(6) 6_556
Ba2 O6 2.873(6) 4_465
Ba2 O1 2.874(6) .
Ba2 O1 2.874(6) 7_575
Ba2 O2 2.901(5) 3_745
Ba2 O2 2.901(5) 5_775
Ba2 O2 2.949(5) 7_475
Ba2 O2 2.949(5) 1_455
Ba2 O4 3.021(3) 5_775
Ba2 O4 3.021(3) 5_765
S1 O5 1.447(8) .
S1 O4 1.473(9) .
S1 O2 1.475(5) .
S1 O2 1.475(5) 7_575
Si1 O3 1.590(9) .
Si1 O6 1.598(5) .
Si1 O6 1.598(5) 7_575
Si1 O7 1.621(9) .
Si2 O1 1.593(5) 7_575
Si2 O1 1.593(5) .
Si2 O7 1.612(9) .
Si2 O3 1.623(9) 6_656
O2 Ba2 2.901(5) 5_775
O2 Ba2 2.949(5) 1_655
O3 Si2 1.623(9) 6_556
O3 Ba1 3.153(5) 6_556
O3 Ba1 3.153(5) 6_546
O4 Ba1 2.823(8) 5_775
O4 Ba2 3.021(3) 5_775
O4 Ba2 3.021(3) 5_765
O5 Ba1 3.285(5) 1_545
O6 Pb1 2.323(5) 6_656
O6 Ba1 2.867(6) 6_556
O6 Ba2 2.873(6) 6_656
