#------------------------------------------------------------------------------
#$Date: 2016-03-05 12:06:46 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177839 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/78/7037890.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_7037890
loop_
_publ_author_name
'Yang, Ming'
'Cui, Meiyan'
'Zhang, Suyun'
'Xiang, Hongping'
'Guo, Wenbin'
'He, Zhangzhen'
_publ_section_title
;
 Two S = 1/2 one-dimensional barium copper phosphates showing
 antiferromagnetic and ferromagnetic intrachain interactions.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3319
_journal_page_last               3326
_journal_paper_doi               10.1039/c5dt03725e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'Ba Cu0.5 O4.5 P'
_chemical_formula_weight         272.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.571(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.328(6)
_cell_length_b                   5.868(4)
_cell_length_c                   9.078(6)
_cell_measurement_temperature    293(2)
_cell_volume                     409.7(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0215
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4190
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    12.495
_exptl_absorpt_correction_T_max  0.3993
_exptl_absorpt_correction_T_min  0.2398
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    4.412
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             486
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.049
_refine_diff_density_min         -1.230
_refine_diff_density_rms         0.252
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_matrix_type           full
_refine_ls_number_parameters     76
_refine_ls_number_reflns         1027
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0232
_refine_ls_R_factor_gt           0.0206
_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)+(0.0222P)²+5.4864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0497
_refine_ls_wR_factor_ref         0.0612
_reflns_number_gt                971
_reflns_number_total             1027
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03725e1.cif
_cod_data_source_block           Ba2Cu(HPO4)(PO4)(OH)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7037889--7037890.cif.
;
_cod_original_cell_volume        409.6(5)
_cod_original_sg_symbol_H-M      P21/m
_cod_original_formula_sum        'Ba Cu0.50 O4.50 P'
_cod_database_code               7037890
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
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
Ba1 Ba 0.21405(5) 0.7500 0.09602(5) 0.00650(13) Uani 1 2 d S
Ba2 Ba 0.78511(5) 0.7500 0.26916(5) 0.00907(13) Uani 1 2 d S
Cu1 Cu 0.5000 0.5000 0.5000 0.00736(19) Uani 1 2 d S
P1 P 0.4899(2) 0.2500 0.1825(2) 0.0052(3) Uani 1 2 d S
P2 P 0.0637(2) 0.2500 0.3034(2) 0.0050(3) Uani 1 2 d S
O1 O 0.5049(5) 0.4696(6) 0.2819(4) 0.0084(7) Uani 1 1 d .
O2 O 0.3166(7) 0.2500 0.0384(6) 0.0165(12) Uani 1 2 d S
O3 O 0.6489(7) 0.2500 0.1362(7) 0.0146(11) Uiso 1 2 d S
O4 O 0.0198(4) 0.4641(6) 0.1996(4) 0.0108(7) Uani 1 1 d .
O5 O 0.2414(7) 0.2500 0.4375(6) 0.0100(10) Uani 1 2 d S
O6 O -0.0730(7) 0.2500 0.3932(7) 0.0137(11) Uani 1 2 d S
O7 O 0.3424(6) 0.7500 0.4202(6) 0.0083(10) Uani 1 2 d S
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
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
O7 Ba1 O4 70.53(12) . .
O7 Ba1 O4 70.53(11) . 4_575
O4 Ba1 O4 75.66(16) . 4_575
O7 Ba1 O3 136.22(16) . 3_665
O4 Ba1 O3 137.40(10) . 3_665
O4 Ba1 O3 137.40(10) 4_575 3_665
O7 Ba1 O1 58.17(10) . 4_575
O4 Ba1 O1 128.67(11) . 4_575
O4 Ba1 O1 85.62(11) 4_575 4_575
O3 Ba1 O1 86.89(12) 3_665 4_575
O7 Ba1 O1 58.17(10) . .
O4 Ba1 O1 85.62(11) . .
O4 Ba1 O1 128.67(11) 4_575 .
O3 Ba1 O1 86.89(12) 3_665 .
O1 Ba1 O1 69.74(15) 4_575 .
O7 Ba1 O4 147.11(10) . 3_565
O4 Ba1 O4 77.20(13) . 3_565
O4 Ba1 O4 107.77(8) 4_575 3_565
O3 Ba1 O4 67.90(13) 3_665 3_565
O1 Ba1 O4 153.80(10) 4_575 3_565
O1 Ba1 O4 113.97(11) . 3_565
O7 Ba1 O4 147.11(10) . 2
O4 Ba1 O4 107.77(8) . 2
O4 Ba1 O4 77.20(13) 4_575 2
O3 Ba1 O4 67.90(13) 3_665 2
O1 Ba1 O4 113.97(11) 4_575 2
O1 Ba1 O4 153.80(10) . 2
O4 Ba1 O4 50.87(15) 3_565 2
O7 Ba1 O2 99.24(10) . 1_565
O4 Ba1 O2 149.40(13) . 1_565
O4 Ba1 O2 73.75(13) 4_575 1_565
O3 Ba1 O2 69.83(10) 3_665 1_565
O1 Ba1 O2 49.08(12) 4_575 1_565
O1 Ba1 O2 114.10(13) . 1_565
O4 Ba1 O2 112.00(12) 3_565 1_565
O4 Ba1 O2 64.90(12) 2 1_565
O7 Ba1 O2 99.24(10) . .
O4 Ba1 O2 73.75(13) . .
O4 Ba1 O2 149.40(13) 4_575 .
O3 Ba1 O2 69.83(10) 3_665 .
O1 Ba1 O2 114.10(13) 4_575 .
O1 Ba1 O2 49.08(12) . .
O4 Ba1 O2 64.90(12) 3_565 .
O4 Ba1 O2 112.00(12) 2 .
O2 Ba1 O2 136.8(2) 1_565 .
O7 Ba1 P2 163.33(11) . 3_565
O4 Ba1 P2 96.54(9) . 3_565
O4 Ba1 P2 96.54(9) 4_575 3_565
O3 Ba1 P2 60.45(13) 3_665 3_565
O1 Ba1 P2 133.28(7) 4_575 3_565
O1 Ba1 P2 133.28(7) . 3_565
O4 Ba1 P2 25.88(8) 3_565 3_565
O4 Ba1 P2 25.88(8) 2 3_565
O2 Ba1 P2 86.63(10) 1_565 3_565
O2 Ba1 P2 86.63(10) . 3_565
O7 Ba1 P1 79.18(7) . 1_565
O4 Ba1 P1 146.30(9) . 1_565
O4 Ba1 P1 80.69(9) 4_575 1_565
O3 Ba1 P1 75.60(7) 3_665 1_565
O1 Ba1 P1 24.32(7) 4_575 1_565
O1 Ba1 P1 90.86(9) . 1_565
O4 Ba1 P1 133.65(8) 3_565 1_565
O4 Ba1 P1 89.68(8) 2 1_565
O2 Ba1 P1 24.91(10) 1_565 1_565
O2 Ba1 P1 126.85(11) . 1_565
P2 Ba1 P1 109.83(4) 3_565 1_565
O2 Ba2 O5 158.16(17) 3_665 3_666
O2 Ba2 O4 74.15(13) 3_665 4_675
O5 Ba2 O4 122.34(11) 3_666 4_675
O2 Ba2 O4 74.15(13) 3_665 1_655
O5 Ba2 O4 122.34(11) 3_666 1_655
O4 Ba2 O4 72.86(16) 4_675 1_655
O2 Ba2 O1 96.19(13) 3_665 .
O5 Ba2 O1 66.21(11) 3_666 .
O4 Ba2 O1 169.84(10) 4_675 .
O4 Ba2 O1 108.00(11) 1_655 .
O2 Ba2 O1 96.19(13) 3_665 4_575
O5 Ba2 O1 66.21(11) 3_666 4_575
O4 Ba2 O1 108.00(11) 4_675 4_575
O4 Ba2 O1 169.84(10) 1_655 4_575
O1 Ba2 O1 69.31(15) . 4_575
O2 Ba2 O6 151.68(16) 3_665 3_666
O5 Ba2 O6 50.15(15) 3_666 3_666
O4 Ba2 O6 83.19(12) 4_675 3_666
O4 Ba2 O6 83.19(12) 1_655 3_666
O1 Ba2 O6 106.97(11) . 3_666
O1 Ba2 O6 106.97(11) 4_575 3_666
O2 Ba2 O6 107.66(10) 3_665 1_665
O5 Ba2 O6 79.37(10) 3_666 1_665
O4 Ba2 O6 48.77(12) 4_675 1_665
O4 Ba2 O6 115.42(13) 1_655 1_665
O1 Ba2 O6 134.54(12) . 1_665
O1 Ba2 O6 70.07(12) 4_575 1_665
O6 Ba2 O6 66.99(10) 3_666 1_665
O2 Ba2 O6 107.66(10) 3_665 1_655
O5 Ba2 O6 79.37(10) 3_666 1_655
O4 Ba2 O6 115.42(13) 4_675 1_655
O4 Ba2 O6 48.77(12) 1_655 1_655
O1 Ba2 O6 70.07(12) . 1_655
O1 Ba2 O6 134.54(12) 4_575 1_655
O6 Ba2 O6 66.99(9) 3_666 1_655
O6 Ba2 O6 132.81(19) 1_665 1_655
O2 Ba2 O3 70.86(10) 3_665 .
O5 Ba2 O3 102.46(11) 3_666 .
O4 Ba2 O3 129.33(13) 4_675 .
O4 Ba2 O3 63.13(13) 1_655 .
O1 Ba2 O3 47.24(12) . .
O1 Ba2 O3 111.15(13) 4_575 .
O6 Ba2 O3 113.69(9) 3_666 .
O6 Ba2 O3 178.07(14) 1_665 .
O6 Ba2 O3 47.47(13) 1_655 .
O2 Ba2 O3 70.86(10) 3_665 1_565
O5 Ba2 O3 102.46(11) 3_666 1_565
O4 Ba2 O3 63.13(13) 4_675 1_565
O4 Ba2 O3 129.33(13) 1_655 1_565
O1 Ba2 O3 111.15(13) . 1_565
O1 Ba2 O3 47.24(12) 4_575 1_565
O6 Ba2 O3 113.69(9) 3_666 1_565
O6 Ba2 O3 47.47(13) 1_665 1_565
O6 Ba2 O3 178.07(14) 1_655 1_565
O3 Ba2 O3 132.17(19) . 1_565
O2 Ba2 P2 178.71(13) 3_665 3_666
O5 Ba2 P2 23.13(11) 3_666 3_666
O4 Ba2 P2 104.83(8) 4_675 3_666
O4 Ba2 P2 104.83(8) 1_655 3_666
O1 Ba2 P2 84.87(7) . 3_666
O1 Ba2 P2 84.87(7) 4_575 3_666
O6 Ba2 P2 27.03(10) 3_666 3_666
O6 Ba2 P2 71.99(10) 1_665 3_666
O6 Ba2 P2 71.99(10) 1_655 3_666
O3 Ba2 P2 109.46(10) . 3_666
O3 Ba2 P2 109.46(10) 1_565 3_666
O7 Cu1 O7 180.0(3) 3_666 .
O7 Cu1 O1 91.98(19) 3_666 .
O7 Cu1 O1 88.02(19) . .
O7 Cu1 O1 88.02(19) 3_666 3_666
O7 Cu1 O1 91.98(19) . 3_666
O1 Cu1 O1 180.000(1) . 3_666
O7 Cu1 Cu1 139.99(12) 3_666 2_656
O7 Cu1 Cu1 40.01(12) . 2_656
O1 Cu1 Cu1 95.10(10) . 2_656
O1 Cu1 Cu1 84.90(10) 3_666 2_656
O7 Cu1 Cu1 40.01(12) 3_666 2_646
O7 Cu1 Cu1 139.99(12) . 2_646
O1 Cu1 Cu1 84.90(10) . 2_646
O1 Cu1 Cu1 95.10(10) 3_666 2_646
Cu1 Cu1 Cu1 180.0 2_656 2_646
O7 Cu1 Ba1 137.89(15) 3_666 .
O7 Cu1 Ba1 42.11(15) . .
O1 Cu1 Ba1 47.68(11) . .
O1 Cu1 Ba1 132.32(11) 3_666 .
Cu1 Cu1 Ba1 67.395(18) 2_656 .
Cu1 Cu1 Ba1 112.605(18) 2_646 .
O7 Cu1 Ba1 42.11(15) 3_666 3_666
O7 Cu1 Ba1 137.89(15) . 3_666
O1 Cu1 Ba1 132.32(11) . 3_666
O1 Cu1 Ba1 47.68(11) 3_666 3_666
Cu1 Cu1 Ba1 112.605(18) 2_656 3_666
Cu1 Cu1 Ba1 67.395(18) 2_646 3_666
Ba1 Cu1 Ba1 180.0 . 3_666
O2 P1 O3 113.3(3) . .
O2 P1 O1 109.65(18) . .
O3 P1 O1 105.89(18) . .
O2 P1 O1 109.65(18) . 4_565
O3 P1 O1 105.89(18) . 4_565
O1 P1 O1 112.5(3) . 4_565
O2 P1 Ba1 60.23(9) . 1_545
O3 P1 Ba1 118.86(9) . 1_545
O1 P1 Ba1 134.61(16) . 1_545
O1 P1 Ba1 49.87(14) 4_565 1_545
O2 P1 Ba1 60.23(9) . .
O3 P1 Ba1 118.86(9) . .
O1 P1 Ba1 49.87(14) . .
O1 P1 Ba1 134.61(16) 4_565 .
Ba1 P1 Ba1 108.22(7) 1_545 .
O2 P1 Ba2 120.75(10) . .
O3 P1 Ba2 59.17(9) . .
O1 P1 Ba2 47.22(14) . .
O1 P1 Ba2 129.38(16) 4_565 .
Ba1 P1 Ba2 177.93(4) 1_545 .
Ba1 P1 Ba2 73.68(5) . .
O2 P1 Ba2 120.75(10) . 1_545
O3 P1 Ba2 59.17(9) . 1_545
O1 P1 Ba2 129.38(16) . 1_545
O1 P1 Ba2 47.22(14) 4_565 1_545
Ba1 P1 Ba2 73.68(5) 1_545 1_545
Ba1 P1 Ba2 177.93(4) . 1_545
Ba2 P1 Ba2 104.41(7) . 1_545
O5 P2 O4 115.14(17) . 4_565
O5 P2 O4 115.14(17) . .
O4 P2 O4 110.6(3) 4_565 .
O5 P2 O6 104.6(3) . .
O4 P2 O6 105.05(19) 4_565 .
O4 P2 O6 105.05(19) . .
O5 P2 Ba1 153.4(2) . 3_565
O4 P2 Ba1 56.66(15) 4_565 3_565
O4 P2 Ba1 56.66(15) . 3_565
O6 P2 Ba1 102.0(2) . 3_565
O5 P2 Ba2 45.7(2) . 3_666
O4 P2 Ba2 124.60(15) 4_565 3_666
O4 P2 Ba2 124.60(15) . 3_666
O6 P2 Ba2 58.9(2) . 3_666
Ba1 P2 Ba2 160.93(6) 3_565 3_666
O5 P2 Ba2 117.27(10) . 1_445
O4 P2 Ba2 45.44(14) 4_565 1_445
O4 P2 Ba2 127.57(16) . 1_445
O6 P2 Ba2 60.32(9) . 1_445
Ba1 P2 Ba2 76.47(4) 3_565 1_445
Ba2 P2 Ba2 92.26(3) 3_666 1_445
O5 P2 Ba2 117.27(10) . 1_455
O4 P2 Ba2 127.57(16) 4_565 1_455
O4 P2 Ba2 45.44(14) . 1_455
O6 P2 Ba2 60.32(9) . 1_455
Ba1 P2 Ba2 76.47(4) 3_565 1_455
Ba2 P2 Ba2 92.26(3) 3_666 1_455
Ba2 P2 Ba2 105.79(7) 1_445 1_455
P1 O1 Cu1 128.4(2) . .
P1 O1 Ba1 105.80(17) . .
Cu1 O1 Ba1 101.33(14) . .
P1 O1 Ba2 109.62(18) . .
Cu1 O1 Ba2 108.14(14) . .
Ba1 O1 Ba2 99.31(12) . .
P1 O2 Ba2 137.1(3) . 3_665
P1 O2 Ba1 94.86(13) . 1_545
Ba2 O2 Ba1 100.46(10) 3_665 1_545
P1 O2 Ba1 94.86(13) . .
Ba2 O2 Ba1 100.46(10) 3_665 .
Ba1 O2 Ba1 136.8(2) 1_545 .
P1 O3 Ba1 149.7(3) . 3_665
P1 O3 Ba2 96.57(14) . .
Ba1 O3 Ba2 95.59(11) 3_665 .
P1 O3 Ba2 96.57(14) . 1_545
Ba1 O3 Ba2 95.59(11) 3_665 1_545
Ba2 O3 Ba2 132.17(19) . 1_545
P2 O4 Ba1 133.1(2) . .
P2 O4 Ba2 111.89(19) . 1_455
Ba1 O4 Ba2 105.30(13) . 1_455
P2 O4 Ba1 97.46(18) . 3_565
Ba1 O4 Ba1 102.80(13) . 3_565
Ba2 O4 Ba1 100.72(11) 1_455 3_565
P2 O5 Ba2 111.2(3) . 3_666
P2 O6 Ba2 94.1(2) . 3_666
P2 O6 Ba2 93.33(13) . 1_445
Ba2 O6 Ba2 113.01(9) 3_666 1_445
P2 O6 Ba2 93.33(13) . 1_455
Ba2 O6 Ba2 113.01(9) 3_666 1_455
Ba2 O6 Ba2 132.81(19) 1_445 1_455
Cu1 O7 Cu1 100.0(2) 2_656 .
Cu1 O7 Ba1 109.69(17) 2_656 .
Cu1 O7 Ba1 109.69(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 O7 2.718(5) .
Ba1 O4 2.735(4) .
Ba1 O4 2.735(4) 4_575
Ba1 O3 2.755(6) 3_665
Ba1 O1 2.878(4) 4_575
Ba1 O1 2.878(4) .
Ba1 O4 2.926(4) 3_565
Ba1 O4 2.926(4) 2
Ba1 O2 3.155(3) 1_565
Ba1 O2 3.155(3) .
Ba1 P2 3.472(3) 3_565
Ba1 P1 3.622(2) 1_565
Ba2 O2 2.588(6) 3_665
Ba2 O5 2.755(5) 3_666
Ba2 O4 2.825(4) 4_675
Ba2 O4 2.825(4) 1_655
Ba2 O1 2.893(4) .
Ba2 O1 2.893(4) 4_575
Ba2 O6 3.082(6) 3_666
Ba2 O6 3.202(3) 1_665
Ba2 O6 3.202(3) 1_655
Ba2 O3 3.210(3) .
Ba2 O3 3.210(3) 1_565
Ba2 P2 3.591(3) 3_666
Cu1 O7 1.915(3) 3_666
Cu1 O7 1.915(3) .
Cu1 O1 2.004(4) .
Cu1 O1 2.004(4) 3_666
Cu1 Cu1 2.9342(19) 2_656
Cu1 Cu1 2.9341(19) 2_646
Cu1 Ba1 3.817(2) 3_666
P1 O2 1.531(6) .
P1 O3 1.535(6) .
P1 O1 1.550(4) .
P1 O1 1.550(4) 4_565
P1 Ba1 3.622(2) 1_545
P1 Ba2 3.713(2) 1_545
P2 O5 1.513(5) .
P2 O4 1.528(4) 4_565
P2 O4 1.528(4) .
P2 O6 1.636(6) .
P2 Ba1 3.472(3) 3_565
P2 Ba2 3.591(3) 3_666
P2 Ba2 3.679(2) 1_445
P2 Ba2 3.679(2) 1_455
O2 Ba2 2.588(6) 3_665
O2 Ba1 3.155(3) 1_545
O3 Ba1 2.755(6) 3_665
O3 Ba2 3.210(3) 1_545
O4 Ba2 2.825(4) 1_455
O4 Ba1 2.926(4) 3_565
O5 Ba2 2.755(5) 3_666
O6 Ba2 3.082(6) 3_666
O6 Ba2 3.202(3) 1_445
O6 Ba2 3.202(3) 1_455
O7 Cu1 1.915(3) 2_656
