#------------------------------------------------------------------------------
#$Date: 2018-12-07 05:37:15 +0200 (Fri, 07 Dec 2018) $
#$Revision: 212436 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/83/2108345.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_2108345
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            'Br1.75 Cu2.5 O4 Pb0.5 Se'
_chemical_formula_weight         545.25
_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-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 109.843(12)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.049(10)
_cell_length_b                   6.226(3)
_cell_length_c                   12.726(7)
_cell_measurement_reflns_used    1494
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.767
_cell_measurement_theta_min      1.701
_cell_volume                     1419.7(13)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Apex 2 Duo'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0667
_diffrn_reflns_av_unetI/netI     0.0894
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7541
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.767
_diffrn_reflns_theta_min         1.701
_exptl_absorpt_coefficient_mu    34.175
_exptl_crystal_density_diffrn    5.103
_exptl_crystal_description       prism
_exptl_crystal_F_000             1926
_refine_diff_density_max         1.796
_refine_diff_density_min         -2.044
_refine_diff_density_rms         0.392
_refine_ls_extinction_coef       0.00017(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     114
_refine_ls_number_reflns         2401
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.944
_refine_ls_R_factor_all          0.0804
_refine_ls_R_factor_gt           0.0407
_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)+(0.0208P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0610
_refine_ls_wR_factor_ref         0.0713
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1629
_reflns_number_total             2401
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ps5074sup1.cif
_cod_data_source_block           CuPbOXO1
_cod_original_cell_volume        1419.5(13)
_cod_original_formula_sum        'Br1.75 Cu2.50 O4 Pb0.50 Se'
_cod_database_code               2108345
_shelx_shelxl_version_number     2018/3
_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'
'-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 0.71498(2) 1.000000 0.33393(4) 0.01556(12) Uani 1 2 d S T P
Se1 Se 0.32474(6) 0.500000 -0.15617(8) 0.0119(2) Uani 1 2 d S T P
Se2 Se 0.59671(6) 1.000000 0.73241(8) 0.0117(2) Uani 1 2 d S T P
Br1 Br 0.70414(6) 1.000000 0.57105(9) 0.0205(3) Uani 1 2 d S T P
Br2 Br 0.59980(7) 0.500000 0.44869(10) 0.0264(3) Uani 1 2 d S T P
Br3 Br 0.500000 0.000000 0.000000 0.0317(5) Uani 1 4 d S T P
Br4 Br 0.27772(7) 0.500000 0.12952(11) 0.0333(4) Uani 1 2 d S T P
Cu1 Cu 0.57107(7) 1.000000 0.46021(10) 0.0154(3) Uani 1 2 d S T P
Cu2 Cu 0.54663(5) 0.75625(16) 0.22707(8) 0.0147(2) Uani 1 1 d . . .
Cu3 Cu 0.500000 0.500000 0.000000 0.0164(4) Uani 1 4 d S T P
Cu4 Cu 0.40277(8) 0.500000 0.13963(12) 0.0202(3) Uani 1 2 d S T P
Cu5 Cu 0.500000 0.500000 0.500000 0.0502(8) Uani 1 4 d S T P
O1 O 0.5053(4) 0.500000 0.1515(6) 0.0125(16) Uani 1 2 d S T P
O2 O 0.5885(4) 1.000000 0.3205(6) 0.0149(17) Uani 1 2 d S T P
O3 O 0.5590(3) 0.7894(9) 0.7750(5) 0.0225(14) Uani 1 1 d . . .
O4 O 0.3530(3) 0.2908(9) -0.2176(4) 0.0166(12) Uani 1 1 d . . .
O5 O 0.3909(4) 0.500000 -0.0276(6) 0.0192(19) Uani 1 2 d S T P
O6 O 0.5410(4) 1.000000 0.5942(6) 0.0207(19) 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'
Pb Pb -3.3944 10.1111 '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'
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
O2 Pb1 O4 68.54(16) . 5_665
O2 Pb1 O4 68.54(16) . 2_665
O4 Pb1 O4 97.0(3) 5_665 2_665
O2 Pb1 Br1 70.46(17) . .
O4 Pb1 Br1 113.48(13) 5_665 .
O4 Pb1 Br1 113.48(13) 2_665 .
O2 Pb1 Br4 126.44(17) . 3
O4 Pb1 Br4 76.87(13) 5_665 3
O4 Pb1 Br4 76.87(13) 2_665 3
Br1 Pb1 Br4 163.10(4) . 3
O2 Pb1 Cu2 33.47(10) . 6_575
O4 Pb1 Cu2 81.52(13) 5_665 6_575
O4 Pb1 Cu2 35.08(12) 2_665 6_575
Br1 Pb1 Cu2 91.38(3) . 6_575
Br4 Pb1 Cu2 103.70(4) 3 6_575
O2 Pb1 Cu2 33.47(10) . .
O4 Pb1 Cu2 35.08(12) 5_665 .
O4 Pb1 Cu2 81.52(13) 2_665 .
Br1 Pb1 Cu2 91.38(3) . .
Br4 Pb1 Cu2 103.70(4) 3 .
Cu2 Pb1 Cu2 53.23(5) 6_575 .
O2 Pb1 Br1 110.13(6) . 7_676
O4 Pb1 Br1 163.45(13) 5_665 7_676
O4 Pb1 Br1 68.11(13) 2_665 7_676
Br1 Pb1 Br1 80.23(3) . 7_676
Br4 Pb1 Br1 92.21(3) 3 7_676
Cu2 Pb1 Br1 89.20(4) 6_575 7_676
Cu2 Pb1 Br1 141.49(3) . 7_676
O2 Pb1 Br1 110.13(6) . 7_666
O4 Pb1 Br1 68.11(13) 5_665 7_666
O4 Pb1 Br1 163.45(13) 2_665 7_666
Br1 Pb1 Br1 80.23(3) . 7_666
Br4 Pb1 Br1 92.21(3) 3 7_666
Cu2 Pb1 Br1 141.49(3) 6_575 7_666
Cu2 Pb1 Br1 89.20(4) . 7_666
Br1 Pb1 Br1 125.49(5) 7_676 7_666
O2 Pb1 Cu1 28.60(17) . .
O4 Pb1 Cu1 86.75(12) 5_665 .
O4 Pb1 Cu1 86.75(12) 2_665 .
Br1 Pb1 Cu1 41.86(3) . .
Br4 Pb1 Cu1 155.04(3) 3 .
Cu2 Pb1 Cu1 54.66(4) 6_575 .
Cu2 Pb1 Cu1 54.66(4) . .
Br1 Pb1 Cu1 99.06(3) 7_676 .
Br1 Pb1 Cu1 99.06(3) 7_666 .
O2 Pb1 Br2 138.76(17) . 7_666
O4 Pb1 Br2 129.75(12) 5_665 7_666
O4 Pb1 Br2 129.75(12) 2_665 7_666
Br1 Pb1 Br2 68.30(4) . 7_666
Br4 Pb1 Br2 94.80(5) 3 7_666
Cu2 Pb1 Br2 147.06(3) 6_575 7_666
Cu2 Pb1 Br2 147.06(3) . 7_666
Br1 Pb1 Br2 62.75(2) 7_676 7_666
Br1 Pb1 Br2 62.75(2) 7_666 7_666
Cu1 Pb1 Br2 110.16(5) . 7_666
O2 Pb1 Br2 53.33(8) . .
O4 Pb1 Br2 56.08(13) 5_665 .
O4 Pb1 Br2 121.12(13) 2_665 .
Br1 Pb1 Br2 57.50(2) . .
Br4 Pb1 Br2 130.01(2) 3 .
Cu2 Pb1 Br2 86.48(4) 6_575 .
Cu2 Pb1 Br2 45.21(3) . .
Br1 Pb1 Br2 137.33(4) 7_676 .
Br1 Pb1 Br2 57.27(4) 7_666 .
Cu1 Pb1 Br2 45.91(2) . .
Br2 Pb1 Br2 102.29(4) 7_666 .
O5 Se1 O4 101.4(2) . 6_565
O5 Se1 O4 101.4(2) . .
O4 Se1 O4 100.2(4) 6_565 .
O5 Se1 Br1 174.3(3) . 3_444
O4 Se1 Br1 75.15(17) 6_565 3_444
O4 Se1 Br1 75.15(17) . 3_444
O3 Se2 O3 103.4(4) . 6_575
O3 Se2 O6 98.5(2) . .
O3 Se2 O6 98.5(2) 6_575 .
O3 Se2 Br1 128.1(2) . .
O3 Se2 Br1 128.1(2) 6_575 .
O6 Se2 Br1 70.6(2) . .
Cu1 Br1 Pb1 80.61(5) . .
Cu1 Br1 Se2 67.98(6) . .
Pb1 Br1 Se2 148.59(4) . .
Cu1 Br1 Se1 141.75(6) . 3_556
Pb1 Br1 Se1 137.64(5) . 3_556
Se2 Br1 Se1 73.77(5) . 3_556
Cu1 Br1 Pb1 116.57(2) . 7_676
Pb1 Br1 Pb1 99.77(3) . 7_676
Se2 Br1 Pb1 94.41(3) . 7_676
Se1 Br1 Pb1 65.67(2) 3_556 7_676
Cu1 Br1 Pb1 116.57(2) . 7_666
Pb1 Br1 Pb1 99.77(3) . 7_666
Se2 Br1 Pb1 94.41(3) . 7_666
Se1 Br1 Pb1 65.67(2) 3_556 7_666
Pb1 Br1 Pb1 125.49(5) 7_676 7_666
Cu1 Br1 Br2 57.28(3) . .
Pb1 Br1 Br2 78.21(3) . .
Se2 Br1 Br2 84.63(4) . .
Se1 Br1 Br2 119.83(3) 3_556 .
Pb1 Br1 Br2 173.66(3) 7_676 .
Pb1 Br1 Br2 60.85(4) 7_666 .
Cu1 Br1 Br2 57.27(3) . 1_565
Pb1 Br1 Br2 78.21(3) . 1_565
Se2 Br1 Br2 84.63(4) . 1_565
Se1 Br1 Br2 119.83(3) 3_556 1_565
Pb1 Br1 Br2 60.85(4) 7_676 1_565
Pb1 Br1 Br2 173.66(3) 7_666 1_565
Br2 Br1 Br2 112.82(5) . 1_565
Cu1 Br1 Br2 143.63(6) . 7_666
Pb1 Br1 Br2 63.02(3) . 7_666
Se2 Br1 Br2 148.39(5) . 7_666
Se1 Br1 Br2 74.62(5) 3_556 7_666
Pb1 Br1 Br2 72.41(3) 7_676 7_666
Pb1 Br1 Br2 72.41(3) 7_666 7_666
Br2 Br1 Br2 111.44(3) . 7_666
Br2 Br1 Br2 111.44(3) 1_565 7_666
Cu1 Br1 Br1 104.42(5) . 7_676
Pb1 Br1 Br1 54.08(3) . 7_676
Se2 Br1 Br1 133.07(3) . 7_676
Se1 Br1 Br1 101.42(4) 3_556 7_676
Pb1 Br1 Br1 45.69(3) 7_676 7_676
Pb1 Br1 Br1 126.89(5) 7_666 7_676
Br2 Br1 Br1 131.94(5) . 7_676
Br2 Br1 Br1 56.72(4) 1_565 7_676
Br2 Br1 Br1 54.71(3) 7_666 7_676
Cu1 Br1 Br1 104.42(5) . 7_666
Pb1 Br1 Br1 54.08(3) . 7_666
Se2 Br1 Br1 133.07(3) . 7_666
Se1 Br1 Br1 101.42(5) 3_556 7_666
Pb1 Br1 Br1 126.89(5) 7_676 7_666
Pb1 Br1 Br1 45.69(3) 7_666 7_666
Br2 Br1 Br1 56.72(4) . 7_666
Br2 Br1 Br1 131.94(5) 1_565 7_666
Br2 Br1 Br1 54.71(3) 7_666 7_666
Br1 Br1 Br1 93.86(6) 7_676 7_666
Cu5 Br2 Cu2 102.76(5) . .
Cu5 Br2 Cu2 102.76(5) . 6_565
Cu2 Br2 Cu2 62.03(6) . 6_565
Cu5 Br2 Cu1 78.88(3) . .
Cu2 Br2 Cu1 61.86(4) . .
Cu2 Br2 Cu1 122.65(5) 6_565 .
Cu5 Br2 Cu1 78.88(3) . 1_545
Cu2 Br2 Cu1 122.64(5) . 1_545
Cu2 Br2 Cu1 61.85(4) 6_565 1_545
Cu1 Br2 Cu1 157.72(7) . 1_545
Cu5 Br2 Pb1 118.72(6) . 7_666
Cu2 Br2 Pb1 128.32(4) . 7_666
Cu2 Br2 Pb1 128.32(4) 6_565 7_666
Cu1 Br2 Pb1 95.85(3) . 7_666
Cu1 Br2 Pb1 95.85(3) 1_545 7_666
Cu5 Br2 Br1 105.43(4) . 1_545
Cu2 Br2 Br1 140.54(4) . 1_545
Cu2 Br2 Br1 85.04(4) 6_565 1_545
Cu1 Br2 Br1 150.90(5) . 1_545
Cu1 Br2 Br1 40.46(4) 1_545 1_545
Pb1 Br2 Br1 56.41(3) 7_666 1_545
Cu5 Br2 Br1 105.43(4) . .
Cu2 Br2 Br1 85.05(4) . .
Cu2 Br2 Br1 140.54(4) 6_565 .
Cu1 Br2 Br1 40.46(4) . .
Cu1 Br2 Br1 150.90(5) 1_545 .
Pb1 Br2 Br1 56.41(3) 7_666 .
Br1 Br2 Br1 112.82(5) 1_545 .
Cu5 Br2 Br1 167.40(5) . 7_666
Cu2 Br2 Br1 87.99(4) . 7_666
Cu2 Br2 Br1 87.99(4) 6_565 7_666
Cu1 Br2 Br1 100.98(3) . 7_666
Cu1 Br2 Br1 100.98(3) 1_545 7_666
Pb1 Br2 Br1 48.68(4) 7_666 7_666
Br1 Br2 Br1 68.56(3) 1_545 7_666
Br1 Br2 Br1 68.56(3) . 7_666
Cu5 Br2 Pb1 133.14(2) . 1_545
Cu2 Br2 Pb1 96.29(5) . 1_545
Cu2 Br2 Pb1 50.94(3) 6_565 1_545
Cu1 Br2 Pb1 146.58(4) . 1_545
Cu1 Br2 Pb1 54.99(4) 1_545 1_545
Pb1 Br2 Pb1 77.71(4) 7_666 1_545
Br1 Br2 Pb1 44.29(3) 1_545 1_545
Br1 Br2 Pb1 118.68(5) . 1_545
Br1 Br2 Pb1 50.32(2) 7_666 1_545
Cu5 Br2 Pb1 133.14(2) . .
Cu2 Br2 Pb1 50.94(3) . .
Cu2 Br2 Pb1 96.29(5) 6_565 .
Cu1 Br2 Pb1 54.99(4) . .
Cu1 Br2 Pb1 146.58(4) 1_545 .
Pb1 Br2 Pb1 77.71(4) 7_666 .
Br1 Br2 Pb1 118.68(5) 1_545 .
Br1 Br2 Pb1 44.29(3) . .
Br1 Br2 Pb1 50.32(2) 7_666 .
Pb1 Br2 Pb1 91.73(5) 1_545 .
Cu5 Br2 Br2 0.001(1) . 5_666
Cu2 Br2 Br2 102.76(5) . 5_666
Cu2 Br2 Br2 102.77(5) 6_565 5_666
Cu1 Br2 Br2 78.88(3) . 5_666
Cu1 Br2 Br2 78.88(3) 1_545 5_666
Pb1 Br2 Br2 118.72(6) 7_666 5_666
Br1 Br2 Br2 105.43(4) 1_545 5_666
Br1 Br2 Br2 105.43(4) . 5_666
Br1 Br2 Br2 167.40(5) 7_666 5_666
Pb1 Br2 Br2 133.14(2) 1_545 5_666
Pb1 Br2 Br2 133.14(2) . 5_666
Cu3 Br3 Cu3 180.0 1_545 .
Cu3 Br3 Cu2 119.16(3) 1_545 6_565
Cu3 Br3 Cu2 60.84(3) . 6_565
Cu3 Br3 Cu2 60.84(3) 1_545 2_645
Cu3 Br3 Cu2 119.16(3) . 2_645
Cu2 Br3 Cu2 180.00(2) 6_565 2_645
Cu3 Br3 Cu2 60.84(3) 1_545 1_545
Cu3 Br3 Cu2 119.16(3) . 1_545
Cu2 Br3 Cu2 58.32(5) 6_565 1_545
Cu2 Br3 Cu2 121.68(5) 2_645 1_545
Cu3 Br3 Cu2 119.16(3) 1_545 5_665
Cu3 Br3 Cu2 60.84(3) . 5_665
Cu2 Br3 Cu2 121.68(5) 6_565 5_665
Cu2 Br3 Cu2 58.32(5) 2_645 5_665
Cu2 Br3 Cu2 180.0 1_545 5_665
Cu4 Br4 Pb1 127.38(6) . 3_445
Cu4 Br4 Br4 91.27(5) . 7
Pb1 Br4 Br4 123.17(4) 3_445 7
Cu4 Br4 Br4 91.27(5) . 7_565
Pb1 Br4 Br4 123.17(4) 3_445 7_565
Br4 Br4 Br4 90.21(7) 7 7_565
O2 Cu1 O6 173.5(3) . .
O2 Cu1 O6 100.3(3) . 5_676
O6 Cu1 O6 73.3(3) . 5_676
O2 Cu1 Br1 93.6(2) . .
O6 Cu1 Br1 92.9(2) . .
O6 Cu1 Br1 166.1(2) 5_676 .
O2 Cu1 Br2 82.54(5) . 1_565
O6 Cu1 Br2 98.34(4) . 1_565
O6 Cu1 Br2 99.43(4) 5_676 1_565
Br1 Cu1 Br2 82.27(3) . 1_565
O2 Cu1 Br2 82.54(5) . .
O6 Cu1 Br2 98.34(4) . .
O6 Cu1 Br2 99.43(4) 5_676 .
Br1 Cu1 Br2 82.27(3) . .
Br2 Cu1 Br2 157.73(7) 1_565 .
O2 Cu1 Pb1 36.1(2) . .
O6 Cu1 Pb1 150.4(2) . .
O6 Cu1 Pb1 136.4(2) 5_676 .
Br1 Cu1 Pb1 57.53(5) . .
Br2 Cu1 Pb1 79.10(3) 1_565 .
Br2 Cu1 Pb1 79.10(3) . .
O1 Cu2 O2 172.9(3) . .
O1 Cu2 O4 95.1(3) . 5_665
O2 Cu2 O4 87.0(3) . 5_665
O1 Cu2 O3 80.7(3) . 2_656
O2 Cu2 O3 97.4(3) . 2_656
O4 Cu2 O3 175.2(2) 5_665 2_656
O1 Cu2 Cu2 147.53(17) . 6_575
O2 Cu2 Cu2 38.00(16) . 6_575
O4 Cu2 Cu2 98.50(16) 5_665 6_575
O3 Cu2 Cu2 84.12(17) 2_656 6_575
O1 Cu2 Cu4 37.1(2) . .
O2 Cu2 Cu4 140.6(2) . .
O4 Cu2 Cu4 132.12(16) 5_665 .
O3 Cu2 Cu4 43.59(16) 2_656 .
Cu2 Cu2 Cu4 121.69(3) 6_575 .
O1 Cu2 Br2 88.82(19) . .
O2 Cu2 Br2 84.53(17) . .
O4 Cu2 Br2 87.44(16) 5_665 .
O3 Cu2 Br2 94.65(18) 2_656 .
Cu2 Cu2 Br2 121.02(3) 6_575 .
Cu4 Cu2 Br2 92.21(5) . .
O1 Cu2 Br3 90.06(19) . 1_565
O2 Cu2 Br3 96.72(17) . 1_565
O4 Cu2 Br3 89.57(15) 5_665 1_565
O3 Cu2 Br3 88.22(18) 2_656 1_565
Cu2 Cu2 Br3 60.84(3) 6_575 1_565
Cu4 Cu2 Br3 88.76(4) . 1_565
Br2 Cu2 Br3 176.71(4) . 1_565
O1 Cu2 Pb1 139.1(2) . .
O2 Cu2 Pb1 42.5(2) . .
O4 Cu2 Pb1 44.59(15) 5_665 .
O3 Cu2 Pb1 139.89(16) 2_656 .
Cu2 Cu2 Pb1 63.39(2) 6_575 .
Cu4 Cu2 Pb1 174.84(4) . .
Br2 Cu2 Pb1 83.84(4) . .
Br3 Cu2 Pb1 95.00(3) 1_565 .
O1 Cu3 O1 180.0 . 5_665
O1 Cu3 O5 97.4(3) . 5_665
O1 Cu3 O5 82.6(3) 5_665 5_665
O1 Cu3 O5 82.6(3) . .
O1 Cu3 O5 97.4(3) 5_665 .
O5 Cu3 O5 180.0 5_665 .
O1 Cu3 Cu4 141.2(2) . 5_665
O1 Cu3 Cu4 38.8(2) 5_665 5_665
O5 Cu3 Cu4 43.8(2) 5_665 5_665
O5 Cu3 Cu4 136.2(2) . 5_665
O1 Cu3 Cu4 38.8(2) . .
O1 Cu3 Cu4 141.2(2) 5_665 .
O5 Cu3 Cu4 136.2(2) 5_665 .
O5 Cu3 Cu4 43.8(2) . .
Cu4 Cu3 Cu4 180.0 5_665 .
O1 Cu3 Br3 90.0 . .
O1 Cu3 Br3 90.0 5_665 .
O5 Cu3 Br3 90.0 5_665 .
O5 Cu3 Br3 90.0 . .
Cu4 Cu3 Br3 90.0 5_665 .
Cu4 Cu3 Br3 90.0 . .
O1 Cu3 Br3 90.0 . 1_565
O1 Cu3 Br3 90.0 5_665 1_565
O5 Cu3 Br3 90.0 5_665 1_565
O5 Cu3 Br3 90.0 . 1_565
Cu4 Cu3 Br3 90.0 5_665 1_565
Cu4 Cu3 Br3 90.0 . 1_565
Br3 Cu3 Br3 180.0 . 1_565
O1 Cu4 O5 80.4(3) . .
O1 Cu4 O3 78.08(18) . 2_656
O5 Cu4 O3 115.53(18) . 2_656
O1 Cu4 O3 78.08(18) . 5_666
O5 Cu4 O3 115.53(18) . 5_666
O3 Cu4 O3 118.0(3) 2_656 5_666
O1 Cu4 Br4 178.7(2) . .
O5 Cu4 Br4 100.9(2) . .
O3 Cu4 Br4 101.28(15) 2_656 .
O3 Cu4 Br4 101.28(15) 5_666 .
O1 Cu4 Cu3 38.5(2) . .
O5 Cu4 Cu3 41.9(2) . .
O3 Cu4 Cu3 97.62(16) 2_656 .
O3 Cu4 Cu3 97.62(16) 5_666 .
Br4 Cu4 Cu3 142.79(7) . .
O1 Cu4 Cu2 36.72(10) . .
O5 Cu4 Cu2 98.49(18) . .
O3 Cu4 Cu2 41.37(15) 2_656 .
O3 Cu4 Cu2 98.62(16) 5_666 .
Br4 Cu4 Cu2 142.63(5) . .
Cu3 Cu4 Cu2 63.31(4) . .
O1 Cu4 Cu2 36.72(10) . 6_565
O5 Cu4 Cu2 98.49(18) . 6_565
O3 Cu4 Cu2 98.62(16) 2_656 6_565
O3 Cu4 Cu2 41.37(15) 5_666 6_565
Br4 Cu4 Cu2 142.63(5) . 6_565
Cu3 Cu4 Cu2 63.31(4) . 6_565
Cu2 Cu4 Cu2 63.38(6) . 6_565
Br2 Cu5 Br2 180.0 5_666 .
Cu2 O1 Cu2 115.1(3) . 6_565
Cu2 O1 Cu3 112.7(2) . .
Cu2 O1 Cu3 112.7(2) 6_565 .
Cu2 O1 Cu4 106.2(3) . .
Cu2 O1 Cu4 106.2(3) 6_565 .
Cu3 O1 Cu4 102.7(3) . .
Cu1 O2 Cu2 114.0(3) . 6_575
Cu1 O2 Cu2 114.0(3) . .
Cu2 O2 Cu2 104.0(3) 6_575 .
Cu1 O2 Pb1 115.3(3) . .
Cu2 O2 Pb1 104.1(3) 6_575 .
Cu2 O2 Pb1 104.1(3) . .
Se2 O3 Cu2 127.8(3) . 2_656
Se2 O3 Cu4 136.8(3) . 5_666
Cu2 O3 Cu4 95.0(2) 2_656 5_666
Se1 O4 Cu2 127.2(3) . 5_665
Se1 O4 Pb1 132.0(3) . 5_665
Cu2 O4 Pb1 100.3(2) 5_665 5_665
Se1 O5 Cu3 124.2(4) . .
Se1 O5 Cu4 141.5(4) . .
Cu3 O5 Cu4 94.3(3) . .
Se2 O6 Cu1 128.6(4) . .
Se2 O6 Cu1 124.7(4) . 5_676
Cu1 O6 Cu1 106.7(3) . 5_676
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O2 2.358(8) .
Pb1 O4 2.417(5) 5_665
Pb1 O4 2.417(5) 2_665
Pb1 Br1 3.094(2) .
Pb1 Br4 3.2101(19) 3
Pb1 Cu2 3.3874(18) 6_575
Pb1 Cu2 3.3874(18) .
Pb1 Br1 3.5015(16) 7_676
Pb1 Br1 3.5015(16) 7_666
Pb1 Cu1 3.618(2) .
Pb1 Br2 3.671(2) 7_666
Pb1 Br2 4.3371(18) .
Se1 O5 1.692(7) .
Se1 O4 1.697(5) 6_565
Se1 O4 1.697(5) .
Se1 Br1 3.452(2) 3_444
Se2 O3 1.671(5) .
Se2 O3 1.671(5) 6_575
Se2 O6 1.718(7) .
Se2 Br1 3.355(2) .
Br1 Cu1 2.447(2) .
Br1 Br2 3.7367(17) .
Br1 Br2 3.7368(17) 1_565
Br1 Br2 3.827(3) 7_666
Br1 Br1 4.261(2) 7_676
Br1 Br1 4.261(2) 7_666
Br2 Cu5 2.2099(16) .
Br2 Cu2 3.0960(19) .
Br2 Cu2 3.0960(19) 6_565
Br2 Cu1 3.1725(17) .
Br2 Cu1 3.1725(17) 1_545
Br2 Br2 4.420(3) 5_666
Br3 Cu3 3.1128(17) 1_545
Br3 Cu3 3.1128(17) .
Br3 Cu2 3.1142(17) 6_565
Br3 Cu2 3.1142(17) 2_645
Br3 Cu2 3.1142(17) 1_545
Br3 Cu2 3.1142(17) 5_665
Br4 Cu4 2.342(2) .
Br4 Br4 4.394(3) 7
Br4 Br4 4.394(3) 7_565
Cu1 O2 1.915(7) .
Cu1 O6 1.975(7) .
Cu1 O6 2.008(8) 5_676
Cu2 O1 1.891(4) .
Cu2 O2 1.926(4) .
Cu2 O4 1.979(5) 5_665
Cu2 O3 2.015(5) 2_656
Cu2 Cu2 3.035(3) 6_575
Cu2 Cu4 3.0369(19) .
Cu3 O1 1.896(7) .
Cu3 O1 1.896(7) 5_665
Cu3 O5 1.987(7) 5_665
Cu3 O5 1.987(7) .
Cu3 Cu4 2.9701(18) 5_665
Cu3 Cu4 2.9702(18) .
Cu4 O1 1.907(7) .
Cu4 O5 2.063(7) .
Cu4 O3 2.102(6) 2_656
Cu4 O3 2.102(6) 5_666

_cod_database_fobs_code 2108345
