#------------------------------------------------------------------------------
#$Date: 2018-12-07 05:37:15 +0200 (Fri, 07 Dec 2018) $
#$Revision: 212436 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/83/2108347.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2108347
loop_
_publ_author_name
'Siidra, Oleg I.'
'Kozin, Michael S.'
'Depmeier, Wulf'
'Kayukov, Roman A.'
'Kovrugin, Vadim M.'
_publ_section_title
;
 Copper--lead selenite bromides: a new large family of compounds partly
 having Cu²⁺ substructures derivable from kagome nets
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              712
_journal_page_last               724
_journal_paper_doi               10.1107/S2052520618016542
_journal_volume                  74
_journal_year                    2018
_chemical_formula_sum            'Br1.83 Cu3.17 O5.33 Pb0.67 Se1.33'
_chemical_formula_weight         676.45
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 94.955(3)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   38.0763(16)
_cell_length_b                   6.2308(3)
_cell_length_c                   11.1897(5)
_cell_measurement_reflns_used    2472
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      32.269
_cell_measurement_theta_min      1.074
_cell_volume                     2644.8(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Apex 2 Duo'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0636
_diffrn_reflns_av_unetI/netI     0.0687
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -56
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18960
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.269
_diffrn_reflns_theta_min         1.074
_exptl_absorpt_coefficient_mu    34.025
_exptl_crystal_density_diffrn    5.097
_exptl_crystal_description       prism
_exptl_crystal_F_000             3584
_refine_diff_density_max         4.113
_refine_diff_density_min         -3.540
_refine_diff_density_rms         0.405
_refine_ls_extinction_coef       0.000085(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         5049
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0381P)²+8.7233P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0816
_refine_ls_wR_factor_ref         0.0934
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3582
_reflns_number_total             5049
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ps5074sup1.cif
_cod_data_source_block           CuPbOXO3
_cod_database_code               2108347
_shelx_shelxl_version_number     2014/7
_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'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Pb1 Pb 0.04353(2) 0.5000 0.26118(4) 0.01191(9) Uani 1 2 d S T P
Pb2 Pb 0.20127(2) -0.5000 0.62893(4) 0.01320(10) Uani 1 2 d S T P
Br1 Br 0.00594(7) 0.5000 -0.0207(2) 0.0202(5) Uani 0.5 2 d S T P
Cu1 Cu 0.06367(9) 0.5000 -0.0584(3) 0.0362(8) Uani 0.5 2 d S T P
Cu2 Cu 0.16856(5) 0.0000 0.4565(2) 0.0469(5) Uani 1 2 d S T P
Br2 Br -0.00072(3) 0.0000 0.68053(11) 0.0194(2) Uani 1 2 d S T P
Br3 Br 0.25665(3) -0.5000 0.86217(12) 0.0347(3) Uani 1 2 d S T P
Br4 Br 0.12242(3) 0.5000 -0.05420(10) 0.0196(2) Uani 1 2 d S T P
Br5 Br 0.10986(3) 0.0000 0.43612(10) 0.0195(2) Uani 1 2 d S T P
Br6 Br 0.22532(3) 0.0000 0.52599(11) 0.0215(2) Uani 1 2 d S T P
Se1 Se 0.19515(3) -1.0000 0.82239(9) 0.0113(2) Uani 1 2 d S T P
Se2 Se 0.45295(3) -0.5000 0.92751(9) 0.01042(19) Uani 1 2 d S T P
Se3 Se 0.05131(3) -0.5000 0.60819(9) 0.0110(2) Uani 1 2 d S T P
Se4 Se 0.19046(3) 0.5000 0.28878(9) 0.0107(2) Uani 1 2 d S T P
Cu3 Cu 0.12546(2) 0.25779(14) 0.70509(8) 0.01187(18) Uani 1 1 d . . .
Cu4 Cu 0.11765(2) 0.25322(14) 0.19156(8) 0.01179(18) Uani 1 1 d . . .
Cu5 Cu 0.38056(3) -0.5000 1.05605(12) 0.0141(3) Uani 1 2 d S T P
Cu6 Cu 0.06035(3) 0.0000 0.73387(13) 0.0154(3) Uani 1 2 d S T P
Cu7 Cu 0.12075(3) -0.5000 0.44791(11) 0.0113(2) Uani 1 2 d S T P
Cu8 Cu 0.31817(4) -0.5000 0.87619(14) 0.0255(3) Uani 1 2 d S T P
O1 O 0.13836(18) 0.5000 0.6149(6) 0.0099(14) Uani 1 2 d S T P
O2 O 0.13126(19) 0.0000 0.1118(6) 0.0114(14) Uani 1 2 d S T P
O3 O 0.38972(19) -0.5000 1.2250(7) 0.0130(15) Uani 1 2 d S T P
O4 O 0.10406(17) 0.5000 0.2801(6) 0.0076(13) Uani 1 2 d S T P
O5 O 0.06938(19) 0.5000 0.4758(7) 0.0153(15) Uani 1 2 d S T P
O6 O 0.1723(2) -0.5000 0.4230(7) 0.0198(17) Uani 1 2 d S T P
O7 O 0.43209(18) -0.5000 1.0542(6) 0.0119(14) Uani 1 2 d S T P
O8 O 0.17591(14) -0.7894(8) 0.7452(5) 0.0161(11) Uani 1 1 d . . .
O9 O 0.43309(13) -0.7114(8) 0.8496(5) 0.0143(11) Uani 1 1 d . . .
O10 O 0.07295(13) -0.7065(8) 0.6817(5) 0.0169(11) Uani 1 1 d . . .
O11 O 0.16943(14) 0.2864(9) 0.2227(6) 0.0220(13) Uani 1 1 d . . .
O12 O 0.1718(2) -1.0000 0.9454(7) 0.0192(17) Uani 1 2 d S T P
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
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
O4 Pb1 O9 68.49(15) . 7_546
O4 Pb1 O9 68.49(16) . 4_566
O9 Pb1 O9 97.1(2) 7_546 4_566
O4 Pb1 O5 66.8(2) . .
O9 Pb1 O5 111.19(16) 7_546 .
O9 Pb1 O5 111.19(16) 4_566 .
O4 Pb1 Br1 126.90(17) . 5_565
O9 Pb1 Br1 77.27(13) 7_546 5_565
O9 Pb1 Br1 77.27(13) 4_566 5_565
O5 Pb1 Br1 166.35(17) . 5_565
O4 Pb1 Br1 115.52(17) . .
O9 Pb1 Br1 70.18(13) 7_546 .
O9 Pb1 Br1 70.18(13) 4_566 .
O5 Pb1 Br1 177.73(17) . .
Br1 Pb1 Br1 11.38(8) 5_565 .
O4 Pb1 Cu4 33.48(9) . 6_565
O9 Pb1 Cu4 82.34(12) 7_546 6_565
O9 Pb1 Cu4 35.05(12) 4_566 6_565
O5 Pb1 Cu4 87.38(15) . 6_565
Br1 Pb1 Cu4 104.71(4) 5_565 6_565
Br1 Pb1 Cu4 94.64(4) . 6_565
O4 Pb1 Cu4 33.47(9) . .
O9 Pb1 Cu4 35.05(12) 7_546 .
O9 Pb1 Cu4 82.34(12) 4_566 .
O5 Pb1 Cu4 87.38(15) . .
Br1 Pb1 Cu4 104.72(4) 5_565 .
Br1 Pb1 Cu4 94.64(4) . .
Cu4 Pb1 Cu4 54.40(3) 6_565 .
O4 Pb1 Cu7 31.76(16) . 1_565
O9 Pb1 Cu7 88.75(13) 7_546 1_565
O9 Pb1 Cu7 88.75(13) 4_566 1_565
O5 Pb1 Cu7 34.99(16) . 1_565
Br1 Pb1 Cu7 158.66(5) 5_565 1_565
Br1 Pb1 Cu7 147.28(5) . 1_565
Cu4 Pb1 Cu7 56.85(2) 6_565 1_565
Cu4 Pb1 Cu7 56.85(2) . 1_565
O4 Pb1 Br2 116.72(4) . 5_556
O9 Pb1 Br2 68.84(12) 7_546 5_556
O9 Pb1 Br2 159.40(13) 4_566 5_556
O5 Pb1 Br2 88.45(8) . 5_556
Br1 Pb1 Br2 84.73(3) 5_565 5_556
Br1 Pb1 Br2 90.41(3) . 5_556
Cu4 Pb1 Br2 147.06(2) 6_565 5_556
Cu4 Pb1 Br2 92.77(2) . 5_556
Cu7 Pb1 Br2 105.38(2) 1_565 5_556
O4 Pb1 Br2 116.72(4) . 5_566
O9 Pb1 Br2 159.40(13) 7_546 5_566
O9 Pb1 Br2 68.84(12) 4_566 5_566
O5 Pb1 Br2 88.45(8) . 5_566
Br1 Pb1 Br2 84.73(3) 5_565 5_566
Br1 Pb1 Br2 90.41(3) . 5_566
Cu4 Pb1 Br2 92.77(2) 6_565 5_566
Cu4 Pb1 Br2 147.06(2) . 5_566
Cu7 Pb1 Br2 105.38(2) 1_565 5_566
Br2 Pb1 Br2 119.76(3) 5_556 5_566
O4 Pb1 Cu1 78.47(17) . .
O9 Pb1 Cu1 52.19(13) 7_546 .
O9 Pb1 Cu1 52.19(13) 4_566 .
O5 Pb1 Cu1 145.22(17) . .
Br1 Pb1 Cu1 48.43(7) 5_565 .
Br1 Pb1 Cu1 37.05(7) . .
Cu4 Pb1 Cu1 62.02(5) 6_565 .
Cu4 Pb1 Cu1 62.02(5) . .
Cu7 Pb1 Cu1 110.23(6) 1_565 .
Br2 Pb1 Cu1 107.94(3) 5_556 .
Br2 Pb1 Cu1 107.94(3) 5_566 .
O1 Pb2 O6 64.7(2) 1_545 .
O1 Pb2 O8 66.33(16) 1_545 .
O6 Pb2 O8 109.16(17) . .
O1 Pb2 O8 66.33(16) 1_545 6_545
O6 Pb2 O8 109.15(17) . 6_545
O8 Pb2 O8 93.9(2) . 6_545
O1 Pb2 Br3 129.66(17) 1_545 .
O6 Pb2 Br3 165.62(17) . .
O8 Pb2 Br3 80.27(13) . .
O8 Pb2 Br3 80.27(13) 6_545 .
O1 Pb2 Br6 145.86(17) 1_545 7_546
O6 Pb2 Br6 81.15(17) . 7_546
O8 Pb2 Br6 129.97(12) . 7_546
O8 Pb2 Br6 129.97(12) 6_545 7_546
Br3 Pb2 Br6 84.47(3) . 7_546
O1 Pb2 Cu3 32.32(10) 1_545 1_545
O6 Pb2 Cu3 85.04(15) . 1_545
O8 Pb2 Cu3 34.06(12) . 1_545
O8 Pb2 Cu3 79.31(12) 6_545 1_545
Br3 Pb2 Cu3 107.81(3) . 1_545
Br6 Pb2 Cu3 150.437(19) 7_546 1_545
O1 Pb2 Cu3 32.32(10) 1_545 6
O6 Pb2 Cu3 85.04(15) . 6
O8 Pb2 Cu3 79.31(12) . 6
O8 Pb2 Cu3 34.06(12) 6_545 6
Br3 Pb2 Cu3 107.81(3) . 6
Br6 Pb2 Cu3 150.437(19) 7_546 6
Cu3 Pb2 Cu3 52.22(3) 1_545 6
O1 Pb2 Br6 105.67(6) 1_545 .
O6 Pb2 Br6 78.46(7) . .
O8 Pb2 Br6 163.08(12) . .
O8 Pb2 Br6 69.25(12) 6_545 .
Br3 Pb2 Br6 95.52(2) . .
Br6 Pb2 Br6 65.202(18) 7_546 .
Cu3 Pb2 Br6 136.81(3) 1_545 .
Cu3 Pb2 Br6 86.52(2) 6 .
O1 Pb2 Br6 105.67(6) 1_545 1_545
O6 Pb2 Br6 78.46(7) . 1_545
O8 Pb2 Br6 69.25(12) . 1_545
O8 Pb2 Br6 163.08(12) 6_545 1_545
Br3 Pb2 Br6 95.52(2) . 1_545
Br6 Pb2 Br6 65.201(18) 7_546 1_545
Cu3 Pb2 Br6 86.52(2) 1_545 1_545
Cu3 Pb2 Br6 136.81(3) 6 1_545
Br6 Pb2 Br6 127.63(4) . 1_545
O1 Pb2 Cu7 31.17(17) 1_545 .
O6 Pb2 Cu7 33.55(17) . .
O8 Pb2 Cu7 86.70(13) . .
O8 Pb2 Cu7 86.70(13) 6_545 .
Br3 Pb2 Cu7 160.83(3) . .
Br6 Pb2 Cu7 114.70(3) 7_546 .
Cu3 Pb2 Cu7 55.52(2) 1_545 .
Cu3 Pb2 Cu7 55.52(2) 6 .
Br6 Pb2 Cu7 92.90(2) . .
Br6 Pb2 Cu7 92.90(2) 1_545 .
Br1 Br1 Cu1 147.6(6) 5_565 .
Br1 Br1 Cu1 25.2(5) 5_565 5_565
Cu1 Br1 Cu1 172.75(13) . 5_565
Br1 Br1 Pb1 101.5(5) 5_565 5_565
Cu1 Br1 Pb1 110.96(13) . 5_565
Cu1 Br1 Pb1 76.29(10) 5_565 5_565
Br1 Br1 Pb1 67.2(5) 5_565 .
Cu1 Br1 Pb1 80.42(13) . .
Cu1 Br1 Pb1 92.33(10) 5_565 .
Pb1 Br1 Pb1 168.62(8) 5_565 .
Br1 Br1 Se2 95.9(3) 5_565 7_556
Cu1 Br1 Se2 69.56(6) . 7_556
Cu1 Br1 Se2 107.53(5) 5_565 7_556
Pb1 Br1 Se2 117.42(5) 5_565 7_556
Pb1 Br1 Se2 65.64(5) . 7_556
Br1 Br1 Se2 95.9(3) 5_565 7_546
Cu1 Br1 Se2 69.56(6) . 7_546
Cu1 Br1 Se2 107.53(5) 5_565 7_546
Pb1 Br1 Se2 117.42(5) 5_565 7_546
Pb1 Br1 Se2 65.64(5) . 7_546
Se2 Br1 Se2 119.85(9) 7_556 7_546
Br1 Br1 Br4 141.7(6) 5_565 .
Cu1 Br1 Br4 5.88(10) . .
Cu1 Br1 Br4 166.87(12) 5_565 .
Pb1 Br1 Br4 116.84(6) 5_565 .
Pb1 Br1 Br4 74.54(6) . .
Se2 Br1 Br4 67.40(4) 7_556 .
Se2 Br1 Br4 67.40(4) 7_546 .
Br4 Cu1 Br1 168.1(2) . .
Br4 Cu1 Br1 160.88(18) . 5_565
Br1 Cu1 Br1 7.25(13) . 5_565
Br4 Cu1 Pb1 105.59(13) . .
Br1 Cu1 Pb1 62.53(11) . .
Br1 Cu1 Pb1 55.29(9) 5_565 .
Br5 Cu2 Br6 165.54(13) . .
Cu6 Br2 Se2 111.38(6) . 3_455
Cu6 Br2 Pb1 114.04(2) . 5_556
Se2 Br2 Pb1 65.081(18) 3_455 5_556
Cu6 Br2 Pb1 114.04(2) . 5_566
Se2 Br2 Pb1 65.081(18) 3_455 5_566
Pb1 Br2 Pb1 119.76(3) 5_556 5_566
Cu6 Br2 Br2 98.92(5) . 5_556
Se2 Br2 Br2 149.70(5) 3_455 5_556
Pb1 Br2 Br2 103.08(3) 5_556 5_556
Pb1 Br2 Br2 103.08(3) 5_566 5_556
Cu6 Br2 Br5 176.82(6) . 5_556
Se2 Br2 Br5 71.80(3) 3_455 5_556
Pb1 Br2 Br5 67.015(18) 5_556 5_556
Pb1 Br2 Br5 67.015(18) 5_566 5_556
Br2 Br2 Br5 77.90(4) 5_556 5_556
Cu8 Br3 Pb2 129.76(6) . .
Cu8 Br3 Br3 97.31(5) . 7_547
Pb2 Br3 Br3 117.26(4) . 7_547
Cu8 Br3 Br3 97.31(5) . 7_537
Pb2 Br3 Br3 117.26(4) . 7_537
Br3 Br3 Br3 89.03(5) 7_547 7_537
Cu8 Br3 Br6 80.06(5) . 7_546
Pb2 Br3 Br6 49.70(2) . 7_546
Br3 Br3 Br6 135.49(2) 7_547 7_546
Br3 Br3 Br6 135.49(2) 7_537 7_546
Cu1 Br4 Cu3 95.41(9) . 1_554
Cu1 Br4 Cu3 95.41(9) . 6_564
Cu3 Br4 Cu3 58.30(4) 1_554 6_564
Cu1 Br4 Cu5 87.94(3) . 7_546
Cu3 Br4 Cu5 60.76(3) 1_554 7_546
Cu3 Br4 Cu5 119.02(4) 6_564 7_546
Cu1 Br4 Cu5 87.94(3) . 7_556
Cu3 Br4 Cu5 119.02(4) 1_554 7_556
Cu3 Br4 Cu5 60.76(3) 6_564 7_556
Cu5 Br4 Cu5 175.83(7) 7_546 7_556
Cu1 Br4 Cu4 83.45(9) . 6_565
Cu3 Br4 Cu4 178.86(5) 1_554 6_565
Cu3 Br4 Cu4 121.82(2) 6_564 6_565
Cu5 Br4 Cu4 119.07(4) 7_546 6_565
Cu5 Br4 Cu4 61.07(3) 7_556 6_565
Cu1 Br4 Cu4 83.45(9) . .
Cu3 Br4 Cu4 121.82(2) 1_554 .
Cu3 Br4 Cu4 178.86(5) 6_564 .
Cu5 Br4 Cu4 61.07(3) 7_546 .
Cu5 Br4 Cu4 119.06(4) 7_556 .
Cu4 Br4 Cu4 58.04(4) 6_565 .
Cu1 Br4 Br1 5.99(10) . .
Cu3 Br4 Br1 100.62(4) 1_554 .
Cu3 Br4 Br1 100.62(4) 6_564 .
Cu5 Br4 Br1 87.99(3) 7_546 .
Cu5 Br4 Br1 87.99(3) 7_556 .
Cu4 Br4 Br1 78.23(4) 6_565 .
Cu4 Br4 Br1 78.23(4) . .
Cu2 Br5 Cu7 82.43(3) . .
Cu2 Br5 Cu7 82.43(3) . 1_565
Cu7 Br5 Cu7 164.50(6) . 1_565
Cu2 Br5 Cu4 85.47(6) . .
Cu7 Br5 Cu4 120.25(4) . .
Cu7 Br5 Cu4 61.64(3) 1_565 .
Cu2 Br5 Cu4 85.47(6) . 6
Cu7 Br5 Cu4 61.64(3) . 6
Cu7 Br5 Cu4 120.24(4) 1_565 6
Cu4 Br5 Cu4 59.19(4) . 6
Cu2 Br5 Cu3 79.25(6) . .
Cu7 Br5 Cu3 114.61(4) . .
Cu7 Br5 Cu3 59.01(3) 1_565 .
Cu4 Br5 Cu3 120.02(2) . .
Cu4 Br5 Cu3 164.68(5) 6 .
Cu2 Br5 Cu3 79.24(6) . 6
Cu7 Br5 Cu3 59.01(3) . 6
Cu7 Br5 Cu3 114.61(4) 1_565 6
Cu4 Br5 Cu3 164.68(5) . 6
Cu4 Br5 Cu3 120.02(2) 6 6
Cu3 Br5 Cu3 56.06(3) . 6
Cu2 Br5 Br2 168.02(8) . 5_556
Cu7 Br5 Br2 97.75(3) . 5_556
Cu7 Br5 Br2 97.75(3) 1_565 5_556
Cu4 Br5 Br2 84.11(3) . 5_556
Cu4 Br5 Br2 84.11(3) 6 5_556
Cu3 Br5 Br2 111.20(3) . 5_556
Cu3 Br5 Br2 111.20(3) 6 5_556
Cu2 Br5 Pb1 125.62(4) . 1_545
Cu7 Br5 Pb1 51.75(3) . 1_545
Cu7 Br5 Pb1 142.65(4) 1_565 1_545
Cu4 Br5 Pb1 93.51(3) . 1_545
Cu4 Br5 Pb1 49.94(2) 6 1_545
Cu3 Br5 Pb1 141.25(3) . 1_545
Cu3 Br5 Pb1 96.274(19) 6 1_545
Br2 Br5 Pb1 49.414(14) 5_556 1_545
Cu2 Br5 Pb1 125.62(4) . .
Cu7 Br5 Pb1 142.65(4) . .
Cu7 Br5 Pb1 51.75(3) 1_565 .
Cu4 Br5 Pb1 49.94(2) . .
Cu4 Br5 Pb1 93.51(3) 6 .
Cu3 Br5 Pb1 96.274(19) . .
Cu3 Br5 Pb1 141.25(3) 6 .
Br2 Br5 Pb1 49.414(14) 5_556 .
Pb1 Br5 Pb1 91.05(2) 1_545 .
Cu2 Br5 Br6 7.24(6) . .
Cu7 Br5 Br6 82.28(3) . .
Cu7 Br5 Br6 82.28(3) 1_565 .
Cu4 Br5 Br6 91.77(3) . .
Cu4 Br5 Br6 91.77(3) 6 .
Cu3 Br5 Br6 72.91(3) . .
Cu3 Br5 Br6 72.91(3) 6 .
Br2 Br5 Br6 175.26(4) 5_556 .
Pb1 Br5 Br6 128.821(17) 1_545 .
Pb1 Br5 Br6 128.820(17) . .
Cu2 Br6 Pb2 129.30(8) . 7_546
Cu2 Br6 Pb2 80.82(3) . .
Pb2 Br6 Pb2 114.798(18) 7_546 .
Cu2 Br6 Pb2 80.82(3) . 1_565
Pb2 Br6 Pb2 114.798(18) 7_546 1_565
Pb2 Br6 Pb2 127.63(4) . 1_565
Cu2 Br6 Se1 86.84(7) . 1_565
Pb2 Br6 Se1 143.87(4) 7_546 1_565
Pb2 Br6 Se1 65.188(19) . 1_565
Pb2 Br6 Se1 65.188(19) 1_565 1_565
Cu2 Br6 Se4 166.02(8) . 7_556
Pb2 Br6 Se4 64.68(3) 7_546 7_556
Pb2 Br6 Se4 93.17(3) . 7_556
Pb2 Br6 Se4 93.17(2) 1_565 7_556
Se1 Br6 Se4 79.19(3) 1_565 7_556
Cu2 Br6 Br6 115.69(5) . 7_556
Pb2 Br6 Br6 58.15(3) 7_546 7_556
Pb2 Br6 Br6 163.18(6) . 7_556
Pb2 Br6 Br6 56.648(15) 1_565 7_556
Se1 Br6 Br6 110.52(4) 1_565 7_556
Se4 Br6 Br6 70.02(4) 7_556 7_556
Cu2 Br6 Br6 115.69(5) . 7_546
Pb2 Br6 Br6 58.15(3) 7_546 7_546
Pb2 Br6 Br6 56.648(15) . 7_546
Pb2 Br6 Br6 163.18(6) 1_565 7_546
Se1 Br6 Br6 110.52(4) 1_565 7_546
Se4 Br6 Br6 70.02(4) 7_556 7_546
Br6 Br6 Br6 114.21(6) 7_556 7_546
Cu2 Br6 Br5 7.22(6) . .
Pb2 Br6 Br5 136.52(4) 7_546 .
Pb2 Br6 Br5 77.88(2) . .
Pb2 Br6 Br5 77.88(2) 1_565 .
Se1 Br6 Br5 79.61(3) 1_565 .
Se4 Br6 Br5 158.80(4) 7_556 .
Br6 Br6 Br5 118.11(4) 7_556 .
Br6 Br6 Br5 118.11(4) 7_546 .
Cu2 Br6 Br3 83.47(7) . 7_546
Pb2 Br6 Br3 45.83(2) 7_546 7_546
Pb2 Br6 Br3 113.00(2) . 7_546
Pb2 Br6 Br3 113.00(2) 1_565 7_546
Se1 Br6 Br3 170.31(4) 1_565 7_546
Se4 Br6 Br3 110.51(3) 7_556 7_546
Br6 Br6 Br3 74.00(4) 7_556 7_546
Br6 Br6 Br3 74.00(4) 7_546 7_546
Br5 Br6 Br3 90.69(3) . 7_546
O8 Se1 O8 100.9(4) . 6_535
O8 Se1 O12 100.3(2) . .
O8 Se1 O12 100.3(2) 6_535 .
O8 Se1 Br6 71.95(18) . 1_545
O8 Se1 Br6 71.95(18) 6_535 1_545
O12 Se1 Br6 167.1(3) . 1_545
O7 Se2 O9 102.0(2) . .
O7 Se2 O9 102.0(2) . 6_545
O9 Se2 O9 100.1(4) . 6_545
O7 Se2 Br2 177.0(3) . 3_545
O9 Se2 Br2 79.88(17) . 3_545
O9 Se2 Br2 79.88(17) 6_545 3_545
O7 Se2 Br1 88.92(13) . 7_556
O9 Se2 Br1 166.28(19) . 7_556
O9 Se2 Br1 69.19(18) 6_545 7_556
Br2 Se2 Br1 89.56(4) 3_545 7_556
O7 Se2 Br1 88.92(13) . 7_546
O9 Se2 Br1 69.19(18) . 7_546
O9 Se2 Br1 166.28(19) 6_545 7_546
Br2 Se2 Br1 89.56(4) 3_545 7_546
Br1 Se2 Br1 119.85(9) 7_556 7_546
O5 Se3 O10 102.0(2) 1_545 .
O5 Se3 O10 102.0(2) 1_545 6_545
O10 Se3 O10 98.3(4) . 6_545
O11 Se4 O11 103.9(4) . 6_565
O11 Se4 O6 99.9(3) . 1_565
O11 Se4 O6 99.9(3) 6_565 1_565
O11 Se4 Br6 127.3(2) . 7_556
O11 Se4 Br6 127.3(2) 6_565 7_556
O6 Se4 Br6 84.5(3) 1_565 7_556
O3 Cu3 O1 172.3(3) 7_547 .
O3 Cu3 O8 96.1(3) 7_547 1_565
O1 Cu3 O8 87.0(3) . 1_565
O3 Cu3 O10 79.2(3) 7_547 1_565
O1 Cu3 O10 98.2(3) . 1_565
O8 Cu3 O10 173.8(2) 1_565 1_565
O3 Cu3 Cu6 38.5(2) 7_547 .
O1 Cu3 Cu6 137.4(2) . .
O8 Cu3 Cu6 134.45(16) 1_565 .
O10 Cu3 Cu6 41.28(15) 1_565 .
O3 Cu3 Cu3 147.78(18) 7_547 6_565
O1 Cu3 Cu3 37.53(16) . 6_565
O8 Cu3 Cu3 98.64(15) 1_565 6_565
O10 Cu3 Cu3 83.63(15) 1_565 6_565
Cu6 Cu3 Cu3 122.44(2) . 6_565
O3 Cu3 Br4 91.0(2) 7_547 1_556
O1 Cu3 Br4 96.04(17) . 1_556
O8 Cu3 Br4 89.05(16) 1_565 1_556
O10 Cu3 Br4 86.99(16) 1_565 1_556
Cu6 Cu3 Br4 94.26(4) . 1_556
Cu3 Cu3 Br4 60.850(19) 6_565 1_556
O3 Cu3 Br5 85.9(2) 7_547 .
O1 Cu3 Br5 86.51(18) . .
O8 Cu3 Br5 102.93(16) 1_565 .
O10 Cu3 Br5 80.91(16) 1_565 .
Cu6 Cu3 Br5 76.12(4) . .
Cu3 Cu3 Br5 118.031(17) 6_565 .
Br4 Cu3 Br5 167.88(4) 1_556 .
O3 Cu3 Pb2 140.1(2) 7_547 1_565
O1 Cu3 Pb2 42.1(2) . 1_565
O8 Cu3 Pb2 44.96(15) 1_565 1_565
O10 Cu3 Pb2 140.31(15) 1_565 1_565
Cu6 Cu3 Pb2 170.12(4) . 1_565
Cu3 Cu3 Pb2 63.891(15) 6_565 1_565
Br4 Cu3 Pb2 95.57(3) 1_556 1_565
Br5 Cu3 Pb2 94.24(3) . 1_565
O2 Cu4 O4 176.9(2) . .
O2 Cu4 O9 94.7(3) . 7_546
O4 Cu4 O9 85.6(2) . 7_546
O2 Cu4 O11 82.1(3) . .
O4 Cu4 O11 97.7(2) . .
O9 Cu4 O11 176.2(2) 7_546 .
O2 Cu4 Cu8 37.0(2) . 7_546
O4 Cu4 Cu8 142.7(2) . 7_546
O9 Cu4 Cu8 131.62(15) 7_546 7_546
O11 Cu4 Cu8 45.08(15) . 7_546
O2 Cu4 Br4 87.52(18) . .
O4 Cu4 Br4 95.58(16) . .
O9 Cu4 Br4 89.42(16) 7_546 .
O11 Cu4 Br4 88.34(19) . .
Cu8 Cu4 Br4 85.89(4) 7_546 .
O2 Cu4 Br5 92.38(18) . .
O4 Cu4 Br5 84.53(16) . .
O9 Cu4 Br5 88.46(16) 7_546 .
O11 Cu4 Br5 93.76(19) . .
Cu8 Cu4 Br5 95.32(4) 7_546 .
Br4 Cu4 Br5 177.87(4) . .
O2 Cu4 Pb1 139.0(2) . .
O4 Cu4 Pb1 41.17(19) . .
O9 Cu4 Pb1 44.52(15) 7_546 .
O11 Cu4 Pb1 138.84(16) . .
Cu8 Cu4 Pb1 175.87(4) 7_546 .
Br4 Cu4 Pb1 95.24(3) . .
Br5 Cu4 Pb1 83.43(3) . .
O3 Cu5 O2 176.9(3) . 7_546
O3 Cu5 O7 85.0(3) . .
O2 Cu5 O7 98.2(3) 7_546 .
O3 Cu5 O12 96.1(3) . 7_537
O2 Cu5 O12 80.8(3) 7_546 7_537
O7 Cu5 O12 178.9(3) . 7_537
O3 Cu5 Cu8 138.0(2) . .
O2 Cu5 Cu8 38.9(2) 7_546 .
O7 Cu5 Cu8 137.1(2) . .
O12 Cu5 Cu8 41.9(2) 7_537 .
O3 Cu5 Br4 90.58(3) . 7_546
O2 Cu5 Br4 89.31(3) 7_546 7_546
O7 Cu5 Br4 92.05(3) . 7_546
O12 Cu5 Br4 87.95(3) 7_537 7_546
Cu8 Cu5 Br4 88.23(3) . 7_546
O3 Cu5 Br4 90.58(3) . 7_556
O2 Cu5 Br4 89.31(3) 7_546 7_556
O7 Cu5 Br4 92.05(3) . 7_556
O12 Cu5 Br4 87.95(3) 7_537 7_556
Cu8 Cu5 Br4 88.23(3) . 7_556
Br4 Cu5 Br4 175.83(7) 7_546 7_556
O3 Cu6 O10 79.12(17) 7_547 6_545
O3 Cu6 O10 79.12(17) 7_547 1_565
O10 Cu6 O10 133.5(3) 6_545 1_565
O3 Cu6 Br2 179.2(2) 7_547 .
O10 Cu6 Br2 100.59(15) 6_545 .
O10 Cu6 Br2 100.59(15) 1_565 .
O3 Cu6 O7 74.1(3) 7_547 7_547
O10 Cu6 O7 106.40(17) 6_545 7_547
O10 Cu6 O7 106.40(17) 1_565 7_547
Br2 Cu6 O7 106.67(18) . 7_547
O3 Cu6 Cu3 38.07(11) 7_547 .
O10 Cu6 Cu3 103.80(15) 6_545 .
O10 Cu6 Cu3 41.67(15) 1_565 .
Br2 Cu6 Cu3 141.52(4) . .
O7 Cu6 Cu3 94.46(15) 7_547 .
O3 Cu6 Cu3 38.07(11) 7_547 6
O10 Cu6 Cu3 41.68(15) 6_545 6
O10 Cu6 Cu3 103.80(15) 1_565 6
Br2 Cu6 Cu3 141.52(4) . 6
O7 Cu6 Cu3 94.45(15) 7_547 6
Cu3 Cu6 Cu3 64.87(4) . 6
O4 Cu7 O1 178.9(3) 1_545 1_545
O4 Cu7 O6 96.2(3) 1_545 .
O1 Cu7 O6 82.7(3) 1_545 .
O4 Cu7 O5 84.7(3) 1_545 1_545
O1 Cu7 O5 96.4(3) 1_545 1_545
O6 Cu7 O5 179.0(3) . 1_545
O4 Cu7 Br5 85.87(4) 1_545 .
O1 Cu7 Br5 94.25(4) 1_545 .
O6 Cu7 Br5 96.96(3) . .
O5 Cu7 Br5 83.10(3) 1_545 .
O4 Cu7 Br5 85.87(4) 1_545 1_545
O1 Cu7 Br5 94.25(4) 1_545 1_545
O6 Cu7 Br5 96.96(3) . 1_545
O5 Cu7 Br5 83.10(3) 1_545 1_545
Br5 Cu7 Br5 164.50(6) . 1_545
O4 Cu7 Pb1 38.78(19) 1_545 1_545
O1 Cu7 Pb1 142.3(2) 1_545 1_545
O6 Cu7 Pb1 135.0(2) . 1_545
O5 Cu7 Pb1 45.9(2) 1_545 1_545
Br5 Cu7 Pb1 82.67(3) . 1_545
Br5 Cu7 Pb1 82.67(3) 1_545 1_545
O4 Cu7 Pb2 139.1(2) 1_545 .
O1 Cu7 Pb2 39.8(2) 1_545 .
O6 Cu7 Pb2 42.9(2) . .
O5 Cu7 Pb2 136.2(2) 1_545 .
Br5 Cu7 Pb2 97.42(3) . .
Br5 Cu7 Pb2 97.42(3) 1_545 .
Pb1 Cu7 Pb2 177.89(4) 1_545 .
O2 Cu8 O12 79.9(3) 7_546 7_537
O2 Cu8 O11 76.99(18) 7_546 7_546
O12 Cu8 O11 118.47(19) 7_537 7_546
O2 Cu8 O11 76.99(18) 7_546 4_546
O12 Cu8 O11 118.47(19) 7_537 4_546
O11 Cu8 O11 110.4(3) 7_546 4_546
O2 Cu8 Br3 179.8(2) 7_546 .
O12 Cu8 Br3 99.9(2) 7_537 .
O11 Cu8 Br3 103.10(15) 7_546 .
O11 Cu8 Br3 103.10(14) 4_546 .
O2 Cu8 Cu5 38.3(2) 7_546 .
O12 Cu8 Cu5 41.6(2) 7_537 .
O11 Cu8 Cu5 98.53(16) 7_546 .
O11 Cu8 Cu5 98.53(16) 4_546 .
Br3 Cu8 Cu5 141.52(7) . .
O2 Cu8 Cu4 36.77(11) 7_546 4_546
O12 Cu8 Cu4 99.15(19) 7_537 4_546
O11 Cu8 Cu4 94.82(15) 7_546 4_546
O11 Cu8 Cu4 40.25(14) 4_546 4_546
Br3 Cu8 Cu4 143.32(4) . 4_546
Cu5 Cu8 Cu4 63.88(4) . 4_546
O2 Cu8 Cu4 36.77(11) 7_546 7_546
O12 Cu8 Cu4 99.15(19) 7_537 7_546
O11 Cu8 Cu4 40.25(14) 7_546 7_546
O11 Cu8 Cu4 94.82(15) 4_546 7_546
Br3 Cu8 Cu4 143.32(4) . 7_546
Cu5 Cu8 Cu4 63.88(4) . 7_546
Cu4 Cu8 Cu4 62.10(4) 4_546 7_546
Cu3 O1 Cu3 104.9(3) . 6_565
Cu3 O1 Cu7 115.4(2) . 1_565
Cu3 O1 Cu7 115.4(2) 6_565 1_565
Cu3 O1 Pb2 105.6(2) . 1_565
Cu3 O1 Pb2 105.6(2) 6_565 1_565
Cu7 O1 Pb2 109.0(3) 1_565 1_565
Cu5 O2 Cu4 114.4(2) 7_546 6
Cu5 O2 Cu4 114.4(2) 7_546 .
Cu4 O2 Cu4 111.7(3) 6 .
Cu5 O2 Cu8 102.8(3) 7_546 7_546
Cu4 O2 Cu8 106.2(3) 6 7_546
Cu4 O2 Cu8 106.2(3) . 7_546
Cu5 O3 Cu3 112.0(2) . 4_547
Cu5 O3 Cu3 112.0(2) . 7_547
Cu3 O3 Cu3 115.6(4) 4_547 7_547
Cu5 O3 Cu6 109.5(4) . 7_547
Cu3 O3 Cu6 103.4(3) 4_547 7_547
Cu3 O3 Cu6 103.4(3) 7_547 7_547
Cu4 O4 Cu4 106.1(3) . 6_565
Cu4 O4 Cu7 114.9(2) . 1_565
Cu4 O4 Cu7 114.9(2) 6_565 1_565
Cu4 O4 Pb1 105.4(2) . .
Cu4 O4 Pb1 105.4(2) 6_565 .
Cu7 O4 Pb1 109.5(3) 1_565 .
Se3 O5 Cu7 127.9(4) 1_565 1_565
Se3 O5 Pb1 133.1(4) 1_565 .
Cu7 O5 Pb1 99.1(3) 1_565 .
Se4 O6 Cu7 126.7(5) 1_545 .
Se4 O6 Pb2 129.7(4) 1_545 .
Cu7 O6 Pb2 103.6(3) . .
Se2 O7 Cu5 123.6(4) . .
Se2 O7 Cu6 145.0(4) . 7_547
Cu5 O7 Cu6 91.4(3) . 7_547
Se1 O8 Cu3 127.1(3) . 1_545
Se1 O8 Pb2 131.3(3) . .
Cu3 O8 Pb2 101.0(2) 1_545 .
Se2 O9 Cu4 127.0(3) . 7_546
Se2 O9 Pb1 132.1(3) . 7_546
Cu4 O9 Pb1 100.4(2) 7_546 7_546
Se3 O10 Cu6 135.8(3) . 1_545
Se3 O10 Cu3 125.6(3) . 1_545
Cu6 O10 Cu3 97.0(2) 1_545 1_545
Se4 O11 Cu4 125.8(3) . .
Se4 O11 Cu8 138.9(3) . 7_546
Cu4 O11 Cu8 94.7(2) . 7_546
Se1 O12 Cu5 125.9(5) . 7_537
Se1 O12 Cu8 137.6(5) . 7_537
Cu5 O12 Cu8 96.5(3) 7_537 7_537
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O4 2.296(7) .
Pb1 O9 2.398(5) 7_546
Pb1 O9 2.398(5) 4_566
Pb1 O5 2.516(8) .
Pb1 Br1 3.149(3) 5_565
Pb1 Br1 3.349(3) .
Pb1 Cu4 3.3636(9) 6_565
Pb1 Cu4 3.3636(9) .
Pb1 Cu7 3.4568(14) 1_565
Pb1 Br2 3.6016(6) 5_556
Pb1 Br2 3.6016(6) 5_566
Pb1 Cu1 3.722(4) .
Pb2 O1 2.387(7) 1_545
Pb2 O6 2.468(8) .
Pb2 O8 2.468(5) .
Pb2 O8 2.468(5) 6_545
Pb2 Br3 3.2106(14) .
Pb2 Br6 3.4140(12) 7_546
Pb2 Cu3 3.4293(9) 1_545
Pb2 Cu3 3.4293(9) 6
Pb2 Br6 3.4717(5) .
Pb2 Br6 3.4717(5) 1_545
Pb2 Cu7 3.5256(14) .
Br1 Br1 0.674(4) 5_565
Br1 Cu1 2.274(4) .
Br1 Cu1 2.866(4) 5_565
Br1 Pb1 3.149(3) 5_565
Br1 Se2 3.6001(16) 7_556
Br1 Se2 3.6001(16) 7_546
Br1 Br4 4.483(3) .
Cu1 Br4 2.233(4) .
Cu1 Br1 2.866(4) 5_565
Cu2 Br5 2.227(2) .
Cu2 Br6 2.233(2) .
Br2 Cu6 2.3504(17) .
Br2 Se2 3.4045(15) 3_455
Br2 Pb1 3.6017(6) 5_556
Br2 Pb1 3.6017(6) 5_566
Br2 Br2 4.045(2) 5_556
Br2 Br5 4.2469(17) 5_556
Br3 Cu8 2.3340(19) .
Br3 Br3 4.4438(19) 7_547
Br3 Br3 4.4438(19) 7_537
Br3 Br6 4.4555(18) 7_546
Br4 Cu3 3.0983(14) 1_554
Br4 Cu3 3.0983(14) 6_564
Br4 Cu5 3.11746(16) 7_546
Br4 Cu5 3.11746(16) 7_556
Br4 Cu4 3.1695(14) 6_565
Br4 Cu4 3.1696(14) .
Br5 Cu7 3.1441(3) .
Br5 Cu7 3.1441(3) 1_565
Br5 Cu4 3.1946(13) .
Br5 Cu4 3.1946(13) 6
Br5 Cu3 3.4180(14) .
Br5 Cu3 3.4180(14) 6
Br5 Br2 4.2469(17) 5_556
Br5 Pb1 4.3661(9) 1_545
Br5 Br6 4.4241(18) .
Br6 Pb2 3.4140(12) 7_546
Br6 Pb2 3.4717(5) 1_565
Br6 Se1 3.6023(15) 1_565
Br6 Se4 3.6651(16) 7_556
Br6 Br6 3.7102(12) 7_556
Br6 Br6 3.7102(12) 7_546
Br6 Br3 4.4555(18) 7_546
Se1 O8 1.702(5) .
Se1 O8 1.702(5) 6_535
Se1 O12 1.703(7) .
Se1 Br6 3.6023(15) 1_545
Se2 O7 1.684(7) .
Se2 O9 1.719(5) .
Se2 O9 1.719(5) 6_545
Se2 Br2 3.4044(15) 3_545
Se2 Br1 3.6000(17) 7_556
Se2 Br1 3.6000(16) 7_546
Se3 O5 1.686(7) 1_545
Se3 O10 1.701(5) .
Se3 O10 1.701(5) 6_545
Se4 O11 1.690(5) .
Se4 O11 1.690(5) 6_565
Se4 O6 1.708(8) 1_565
Se4 Br6 3.6650(16) 7_556
Cu3 O3 1.899(4) 7_547
Cu3 O1 1.903(4) .
Cu3 O8 1.957(5) 1_565
Cu3 O10 2.006(5) 1_565
Cu3 Cu6 2.9947(14) .
Cu3 Cu3 3.0183(17) 6_565
Cu3 Br4 3.0983(14) 1_556
Cu3 Pb2 3.4294(9) 1_565
Cu4 O2 1.907(4) .
Cu4 O4 1.924(4) .
Cu4 O9 1.964(5) 7_546
Cu4 O11 1.983(5) .
Cu4 Cu8 3.0589(15) 7_546
Cu5 O3 1.892(8) .
Cu5 O2 1.893(7) 7_546
Cu5 O7 1.964(7) .
Cu5 O12 1.991(8) 7_537
Cu5 Cu8 2.978(2) .
Cu5 Br4 3.11747(16) 7_546
Cu5 Br4 3.11747(16) 7_556
Cu6 O3 1.917(7) 7_547
Cu6 O10 1.991(5) 6_545
Cu6 O10 1.991(5) 1_565
Cu6 O7 2.364(7) 7_547
Cu6 Cu3 2.9947(14) 6
Cu7 O4 1.930(7) 1_545
Cu7 O1 1.930(7) 1_545
Cu7 O6 2.005(7) .
Cu7 O5 2.007(7) 1_545
Cu7 Br5 3.1441(3) 1_545
Cu7 Pb1 3.4568(14) 1_545
Cu8 O2 1.918(7) 7_546
Cu8 O12 2.000(8) 7_537
Cu8 O11 2.173(5) 7_546
Cu8 O11 2.173(5) 4_546
Cu8 Cu4 3.0589(15) 4_546
Cu8 Cu4 3.0589(15) 7_546
O1 Cu3 1.903(4) 6_565
O1 Cu7 1.930(7) 1_565
O1 Pb2 2.387(7) 1_565
O2 Cu5 1.893(7) 7_546
O2 Cu4 1.907(4) 6
O2 Cu8 1.919(7) 7_546
O3 Cu3 1.899(4) 4_547
O3 Cu3 1.899(4) 7_547
O3 Cu6 1.917(7) 7_547
O4 Cu4 1.924(4) 6_565
O4 Cu7 1.930(7) 1_565
O5 Se3 1.686(7) 1_565
O5 Cu7 2.007(7) 1_565
O6 Se4 1.708(8) 1_545
O7 Cu6 2.364(7) 7_547
O8 Cu3 1.957(5) 1_545
O9 Cu4 1.964(5) 7_546
O9 Pb1 2.398(5) 7_546
O10 Cu6 1.991(5) 1_545
O10 Cu3 2.006(5) 1_545
O11 Cu8 2.173(5) 7_546
O12 Cu5 1.991(8) 7_537
O12 Cu8 2.000(8) 7_537

_cod_database_fobs_code 2108347
