#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/66/4336645.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_4336645
loop_
_publ_author_name
'Oleg I. Siidra'
'Diana O. Zinyakhina'
'Anastasiya I. Zadoya'
'Sergey V. Krivovichev'
'Rick W. Turner'
_publ_section_title
;
 Synthesis and Modular Structural Architectures of Mineralogically
 Inspired Novel Complex Pb Oxyhalides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12799
_journal_page_last               12805
_journal_paper_doi               10.1021/ic402066h
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Cl0.5 O3 Pb2.75 Si0.25'
_chemical_formula_weight         642.52
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   3.8890(7)
_cell_length_b                   3.8890(7)
_cell_length_c                   32.560(6)
_cell_measurement_temperature    296(2)
_cell_volume                     492.45(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            2085
_diffrn_reflns_theta_full        27.90
_diffrn_reflns_theta_max         27.90
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    94.011
_exptl_crystal_density_diffrn    8.666
_exptl_crystal_F_000             1046
_refine_diff_density_max         5.504
_refine_diff_density_min         -3.182
_refine_diff_density_rms         0.755
_refine_ls_extinction_coef       0.0030(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.177
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_reflns         315
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.177
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0518
_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)+(0.0778P)²+47.1450P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1391
_refine_ls_wR_factor_ref         0.1418
_reflns_number_gt                296
_reflns_number_total             315
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402066h_si_001_3.cif
_cod_data_source_block           Pb5.5Si0.5O6Cl_(compound_3)
_cod_original_formula_sum        'Cl0.50 O3 Pb2.75 Si0.25'
_cod_database_code               4336645
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+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 0.0000 0.0000 0.28908(4) 0.0363(6) Uani 0.94 4 d SP
Si1 Si 0.0000 0.0000 0.28908(4) 0.0363(6) Uani 0.06 4 d SP
Pb2 Pb -0.5000 -0.5000 0.36318(5) 0.0381(6) Uani 0.81 4 d SP
Si2 Si -0.5000 -0.5000 0.36318(5) 0.0381(6) Uani 0.19 4 d SP
Pb3 Pb 0.0000 0.0000 0.44057(3) 0.0212(6) Uani 1 4 d S
Cl1 Cl -0.5000 -0.5000 0.4907(5) 0.028(5) Uani 0.50 4 d SP
O1 O -0.5000 0.0000 0.2500 0.082(13) Uani 1 4 d S
O2 O -0.5000 -1.0000 0.3989(9) 0.080(9) 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O1 Pb1 O1 72.55(3) 13_445 .
O1 Pb1 O1 113.59(6) 13_445 13_455
O1 Pb1 O1 72.55(3) . 13_455
O1 Pb1 O1 72.55(3) 13_445 1_655
O1 Pb1 O1 113.59(6) . 1_655
O1 Pb1 O1 72.55(3) 13_455 1_655
O1 Pb1 Si2 143.697(13) 13_445 1_665
O1 Pb1 Si2 143.697(13) . 1_665
O1 Pb1 Si2 85.20(2) 13_455 1_665
O1 Pb1 Si2 85.20(2) 1_655 1_665
O1 Pb1 Pb2 143.697(13) 13_445 1_665
O1 Pb1 Pb2 143.697(13) . 1_665
O1 Pb1 Pb2 85.20(2) 13_455 1_665
O1 Pb1 Pb2 85.20(2) 1_655 1_665
Si2 Pb1 Pb2 0.00(4) 1_665 1_665
O1 Pb1 Si2 143.697(13) 13_445 1_565
O1 Pb1 Si2 85.20(2) . 1_565
O1 Pb1 Si2 85.20(2) 13_455 1_565
O1 Pb1 Si2 143.697(13) 1_655 1_565
Si2 Pb1 Si2 64.22(3) 1_665 1_565
Pb2 Pb1 Si2 64.22(3) 1_665 1_565
O1 Pb1 Si2 85.20(2) 13_445 1_655
O1 Pb1 Si2 143.697(13) . 1_655
O1 Pb1 Si2 143.697(13) 13_455 1_655
O1 Pb1 Si2 85.20(2) 1_655 1_655
Si2 Pb1 Si2 64.22(3) 1_665 1_655
Pb2 Pb1 Si2 64.22(3) 1_665 1_655
Si2 Pb1 Si2 97.48(5) 1_565 1_655
O1 Pb1 Pb2 143.697(13) 13_445 1_565
O1 Pb1 Pb2 85.20(2) . 1_565
O1 Pb1 Pb2 85.20(2) 13_455 1_565
O1 Pb1 Pb2 143.697(13) 1_655 1_565
Si2 Pb1 Pb2 64.22(3) 1_665 1_565
Pb2 Pb1 Pb2 64.22(3) 1_665 1_565
Si2 Pb1 Pb2 0.00(4) 1_565 1_565
Si2 Pb1 Pb2 97.48(5) 1_655 1_565
O1 Pb1 Pb2 85.20(2) 13_445 1_655
O1 Pb1 Pb2 143.697(13) . 1_655
O1 Pb1 Pb2 143.697(13) 13_455 1_655
O1 Pb1 Pb2 85.20(2) 1_655 1_655
Si2 Pb1 Pb2 64.22(3) 1_665 1_655
Pb2 Pb1 Pb2 64.22(3) 1_665 1_655
Si2 Pb1 Pb2 97.48(5) 1_565 1_655
Si2 Pb1 Pb2 0.00(4) 1_655 1_655
Pb2 Pb1 Pb2 97.48(5) 1_565 1_655
O1 Pb1 Pb2 85.20(2) 13_445 .
O1 Pb1 Pb2 85.20(2) . .
O1 Pb1 Pb2 143.697(13) 13_455 .
O1 Pb1 Pb2 143.697(13) 1_655 .
Si2 Pb1 Pb2 97.48(5) 1_665 .
Pb2 Pb1 Pb2 97.48(5) 1_665 .
Si2 Pb1 Pb2 64.22(3) 1_565 .
Si2 Pb1 Pb2 64.22(3) 1_655 .
Pb2 Pb1 Pb2 64.22(3) 1_565 .
Pb2 Pb1 Pb2 64.22(3) 1_655 .
O2 Pb2 O2 74.7(6) 3_455 1_565
O2 Pb2 O2 118.2(13) 3_455 3_355
O2 Pb2 O2 74.7(6) 1_565 3_355
O2 Pb2 O2 74.7(6) 3_455 .
O2 Pb2 O2 118.2(13) 1_565 .
O2 Pb2 O2 74.7(6) 3_355 .
O2 Pb2 Si1 142.6(3) 3_455 1_445
O2 Pb2 Si1 142.6(3) 1_565 1_445
O2 Pb2 Si1 83.3(6) 3_355 1_445
O2 Pb2 Si1 83.3(6) . 1_445
O2 Pb2 Pb1 142.6(3) 3_455 1_445
O2 Pb2 Pb1 142.6(3) 1_565 1_445
O2 Pb2 Pb1 83.3(6) 3_355 1_445
O2 Pb2 Pb1 83.3(6) . 1_445
Si1 Pb2 Pb1 0.00(3) 1_445 1_445
O2 Pb2 Si1 142.6(3) 3_455 1_455
O2 Pb2 Si1 83.3(6) 1_565 1_455
O2 Pb2 Si1 83.3(6) 3_355 1_455
O2 Pb2 Si1 142.6(3) . 1_455
Si1 Pb2 Si1 64.22(3) 1_445 1_455
Pb1 Pb2 Si1 64.22(3) 1_445 1_455
O2 Pb2 Pb1 83.3(6) 3_455 1_545
O2 Pb2 Pb1 142.6(3) 1_565 1_545
O2 Pb2 Pb1 142.6(3) 3_355 1_545
O2 Pb2 Pb1 83.3(6) . 1_545
Si1 Pb2 Pb1 64.22(3) 1_445 1_545
Pb1 Pb2 Pb1 64.22(3) 1_445 1_545
Si1 Pb2 Pb1 97.48(5) 1_455 1_545
O2 Pb2 Pb1 142.6(3) 3_455 1_455
O2 Pb2 Pb1 83.3(6) 1_565 1_455
O2 Pb2 Pb1 83.3(6) 3_355 1_455
O2 Pb2 Pb1 142.6(3) . 1_455
Si1 Pb2 Pb1 64.22(3) 1_445 1_455
Pb1 Pb2 Pb1 64.22(3) 1_445 1_455
Si1 Pb2 Pb1 0.00(3) 1_455 1_455
Pb1 Pb2 Pb1 97.48(5) 1_545 1_455
O2 Pb2 Si1 83.3(6) 3_455 1_545
O2 Pb2 Si1 142.6(3) 1_565 1_545
O2 Pb2 Si1 142.6(3) 3_355 1_545
O2 Pb2 Si1 83.3(6) . 1_545
Si1 Pb2 Si1 64.22(3) 1_445 1_545
Pb1 Pb2 Si1 64.22(3) 1_445 1_545
Si1 Pb2 Si1 97.48(5) 1_455 1_545
Pb1 Pb2 Si1 0.00(3) 1_545 1_545
Pb1 Pb2 Si1 97.48(5) 1_455 1_545
O2 Pb2 Pb1 83.3(6) 3_455 .
O2 Pb2 Pb1 83.3(6) 1_565 .
O2 Pb2 Pb1 142.6(3) 3_355 .
O2 Pb2 Pb1 142.6(3) . .
Si1 Pb2 Pb1 97.48(5) 1_445 .
Pb1 Pb2 Pb1 97.48(5) 1_445 .
Si1 Pb2 Pb1 64.22(3) 1_455 .
Pb1 Pb2 Pb1 64.22(3) 1_545 .
Pb1 Pb2 Pb1 64.22(3) 1_455 .
Si1 Pb2 Pb1 64.22(3) 1_545 .
O2 Pb3 O2 70.9(6) 3_455 1_565
O2 Pb3 O2 110.2(12) 3_455 3_465
O2 Pb3 O2 70.9(6) 1_565 3_465
O2 Pb3 O2 70.9(6) 3_455 1_665
O2 Pb3 O2 110.2(12) 1_565 1_665
O2 Pb3 O2 70.9(6) 3_465 1_665
O2 Pb3 Cl1 142.25(11) 3_455 1_665
O2 Pb3 Cl1 142.25(11) 1_565 1_665
O2 Pb3 Cl1 78.1(5) 3_465 1_665
O2 Pb3 Cl1 78.1(5) 1_665 1_665
O2 Pb3 Cl1 78.1(5) 3_455 .
O2 Pb3 Cl1 78.1(5) 1_565 .
O2 Pb3 Cl1 142.25(11) 3_465 .
O2 Pb3 Cl1 142.25(11) 1_665 .
Cl1 Pb3 Cl1 118.6(5) 1_665 .
O2 Pb3 Cl1 142.25(11) 3_455 1_565
O2 Pb3 Cl1 78.1(5) 1_565 1_565
O2 Pb3 Cl1 78.1(5) 3_465 1_565
O2 Pb3 Cl1 142.25(11) 1_665 1_565
Cl1 Pb3 Cl1 74.9(2) 1_665 1_565
Cl1 Pb3 Cl1 74.9(2) . 1_565
O2 Pb3 Cl1 78.1(5) 3_455 1_655
O2 Pb3 Cl1 142.25(11) 1_565 1_655
O2 Pb3 Cl1 142.25(11) 3_465 1_655
O2 Pb3 Cl1 78.1(5) 1_665 1_655
Cl1 Pb3 Cl1 74.9(2) 1_665 1_655
Cl1 Pb3 Cl1 74.9(2) . 1_655
Cl1 Pb3 Cl1 118.6(5) 1_565 1_655
O2 Pb3 Cl1 144.2(2) 3_455 9_556
O2 Pb3 Cl1 144.2(2) 1_565 9_556
O2 Pb3 Cl1 84.9(5) 3_465 9_556
O2 Pb3 Cl1 84.9(5) 1_665 9_556
Cl1 Pb3 Cl1 8.5(4) 1_665 9_556
Cl1 Pb3 Cl1 110.17(6) . 9_556
Cl1 Pb3 Cl1 71.21(6) 1_565 9_556
Cl1 Pb3 Cl1 71.21(6) 1_655 9_556
O2 Pb3 Cl1 144.2(2) 3_455 9_456
O2 Pb3 Cl1 84.9(5) 1_565 9_456
O2 Pb3 Cl1 84.9(5) 3_465 9_456
O2 Pb3 Cl1 144.2(2) 1_665 9_456
Cl1 Pb3 Cl1 71.21(6) 1_665 9_456
Cl1 Pb3 Cl1 71.21(6) . 9_456
Cl1 Pb3 Cl1 8.5(4) 1_565 9_456
Cl1 Pb3 Cl1 110.17(6) 1_655 9_456
Cl1 Pb3 Cl1 66.5(2) 9_556 9_456
O2 Pb3 Cl1 84.9(5) 3_455 9_546
O2 Pb3 Cl1 144.2(2) 1_565 9_546
O2 Pb3 Cl1 144.2(2) 3_465 9_546
O2 Pb3 Cl1 84.9(5) 1_665 9_546
Cl1 Pb3 Cl1 71.21(6) 1_665 9_546
Cl1 Pb3 Cl1 71.21(6) . 9_546
Cl1 Pb3 Cl1 110.17(6) 1_565 9_546
Cl1 Pb3 Cl1 8.5(4) 1_655 9_546
Cl1 Pb3 Cl1 66.5(2) 9_556 9_546
Cl1 Pb3 Cl1 101.7(4) 9_456 9_546
O2 Pb3 Cl1 84.9(5) 3_455 9_446
O2 Pb3 Cl1 84.9(5) 1_565 9_446
O2 Pb3 Cl1 144.2(2) 3_465 9_446
O2 Pb3 Cl1 144.2(2) 1_665 9_446
Cl1 Pb3 Cl1 110.17(6) 1_665 9_446
Cl1 Pb3 Cl1 8.5(4) . 9_446
Cl1 Pb3 Cl1 71.21(6) 1_565 9_446
Cl1 Pb3 Cl1 71.21(6) 1_655 9_446
Cl1 Pb3 Cl1 101.7(4) 9_556 9_446
Cl1 Pb3 Cl1 66.5(2) 9_456 9_446
Cl1 Pb3 Cl1 66.5(2) 9_546 9_446
Cl1 Cl1 Pb3 120.7(2) 9_446 1_445
Cl1 Cl1 Pb3 120.7(2) 9_446 .
Pb3 Cl1 Pb3 118.6(5) 1_445 .
Cl1 Cl1 Pb3 120.7(2) 9_446 1_455
Pb3 Cl1 Pb3 74.9(2) 1_445 1_455
Pb3 Cl1 Pb3 74.9(2) . 1_455
Cl1 Cl1 Pb3 120.7(2) 9_446 1_545
Pb3 Cl1 Pb3 74.9(2) 1_445 1_545
Pb3 Cl1 Pb3 74.9(2) . 1_545
Pb3 Cl1 Pb3 118.6(5) 1_455 1_545
Cl1 Cl1 Pb3 50.85(19) 9_446 9_556
Pb3 Cl1 Pb3 171.5(4) 1_445 9_556
Pb3 Cl1 Pb3 69.83(6) . 9_556
Pb3 Cl1 Pb3 108.79(6) 1_455 9_556
Pb3 Cl1 Pb3 108.79(6) 1_545 9_556
Cl1 Cl1 Pb3 50.85(19) 9_446 9_456
Pb3 Cl1 Pb3 108.79(6) 1_445 9_456
Pb3 Cl1 Pb3 108.79(6) . 9_456
Pb3 Cl1 Pb3 69.83(6) 1_455 9_456
Pb3 Cl1 Pb3 171.5(4) 1_545 9_456
Pb3 Cl1 Pb3 66.5(2) 9_556 9_456
Cl1 Cl1 Pb3 50.85(19) 9_446 9_546
Pb3 Cl1 Pb3 108.79(6) 1_445 9_546
Pb3 Cl1 Pb3 108.79(6) . 9_546
Pb3 Cl1 Pb3 171.5(4) 1_455 9_546
Pb3 Cl1 Pb3 69.83(6) 1_545 9_546
Pb3 Cl1 Pb3 66.5(2) 9_556 9_546
Pb3 Cl1 Pb3 101.7(4) 9_456 9_546
Cl1 Cl1 Pb3 50.9(2) 9_446 9_446
Pb3 Cl1 Pb3 69.83(6) 1_445 9_446
Pb3 Cl1 Pb3 171.5(4) . 9_446
Pb3 Cl1 Pb3 108.79(6) 1_455 9_446
Pb3 Cl1 Pb3 108.79(6) 1_545 9_446
Pb3 Cl1 Pb3 101.7(4) 9_556 9_446
Pb3 Cl1 Pb3 66.5(2) 9_456 9_446
Pb3 Cl1 Pb3 66.5(2) 9_546 9_446
Cl1 Cl1 Cl1 90.000(5) 9_446 1_565
Pb3 Cl1 Cl1 127.45(11) 1_445 1_565
Pb3 Cl1 Cl1 52.55(11) . 1_565
Pb3 Cl1 Cl1 52.55(11) 1_455 1_565
Pb3 Cl1 Cl1 127.45(11) 1_545 1_565
Pb3 Cl1 Cl1 56.74(10) 9_556 1_565
Pb3 Cl1 Cl1 56.74(10) 9_456 1_565
Pb3 Cl1 Cl1 123.26(10) 9_546 1_565
Pb3 Cl1 Cl1 123.26(10) 9_446 1_565
Cl1 Cl1 Cl1 90.0 9_446 1_545
Pb3 Cl1 Cl1 52.55(11) 1_445 1_545
Pb3 Cl1 Cl1 127.45(11) . 1_545
Pb3 Cl1 Cl1 127.45(11) 1_455 1_545
Pb3 Cl1 Cl1 52.55(11) 1_545 1_545
Pb3 Cl1 Cl1 123.26(10) 9_556 1_545
Pb3 Cl1 Cl1 123.26(10) 9_456 1_545
Pb3 Cl1 Cl1 56.74(10) 9_546 1_545
Pb3 Cl1 Cl1 56.74(10) 9_446 1_545
Cl1 Cl1 Cl1 180.0 1_565 1_545
Cl1 Cl1 Cl1 90.0 9_446 1_455
Pb3 Cl1 Cl1 52.55(11) 1_445 1_455
Pb3 Cl1 Cl1 127.45(11) . 1_455
Pb3 Cl1 Cl1 52.55(11) 1_455 1_455
Pb3 Cl1 Cl1 127.45(11) 1_545 1_455
Pb3 Cl1 Cl1 123.26(10) 9_556 1_455
Pb3 Cl1 Cl1 56.74(10) 9_456 1_455
Pb3 Cl1 Cl1 123.26(10) 9_546 1_455
Pb3 Cl1 Cl1 56.74(10) 9_446 1_455
Cl1 Cl1 Cl1 90.0 1_565 1_455
Cl1 Cl1 Cl1 90.000(1) 1_545 1_455
Pb1 O1 Si1 107.45(3) . 13_445
Pb1 O1 Pb1 107.45(3) . 13_445
Si1 O1 Pb1 0.00(6) 13_445 13_445
Pb1 O1 Si1 107.45(3) . 13_455
Si1 O1 Si1 113.59(6) 13_445 13_455
Pb1 O1 Si1 113.59(6) 13_445 13_455
Pb1 O1 Pb1 107.45(3) . 13_455
Si1 O1 Pb1 113.59(6) 13_445 13_455
Pb1 O1 Pb1 113.59(6) 13_445 13_455
Si1 O1 Pb1 0.00(6) 13_455 13_455
Pb1 O1 Si1 113.59(6) . 1_455
Si1 O1 Si1 107.45(3) 13_445 1_455
Pb1 O1 Si1 107.45(3) 13_445 1_455
Si1 O1 Si1 107.45(3) 13_455 1_455
Pb1 O1 Si1 107.45(3) 13_455 1_455
Pb1 O1 Pb1 113.59(6) . 1_455
Si1 O1 Pb1 107.45(3) 13_445 1_455
Pb1 O1 Pb1 107.45(3) 13_445 1_455
Si1 O1 Pb1 107.45(3) 13_455 1_455
Pb1 O1 Pb1 107.45(3) 13_455 1_455
Si1 O1 Pb1 0.00(6) 1_455 1_455
Si2 O2 Pb2 0.00(7) 1_545 1_545
Si2 O2 Pb2 118.2(13) 1_545 .
Pb2 O2 Pb2 118.2(13) 1_545 .
Si2 O2 Pb3 107.08(8) 1_545 1_545
Pb2 O2 Pb3 107.08(8) 1_545 1_545
Pb2 O2 Pb3 107.08(8) . 1_545
Si2 O2 Pb3 107.08(8) 1_545 1_445
Pb2 O2 Pb3 107.08(8) 1_545 1_445
Pb2 O2 Pb3 107.08(8) . 1_445
Pb3 O2 Pb3 110.2(12) 1_545 1_445
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O1 2.3239(8) 13_445
Pb1 O1 2.3239(8) .
Pb1 O1 2.3239(8) 13_455
Pb1 O1 2.3239(8) 1_655
Pb1 Si2 3.6582(15) 1_665
Pb1 Pb2 3.6582(15) 1_665
Pb1 Si2 3.6582(15) 1_565
Pb1 Si2 3.6582(15) 1_655
Pb1 Pb2 3.6582(15) 1_565
Pb1 Pb2 3.6582(15) 1_655
Pb1 Pb2 3.6582(15) .
Pb2 O2 2.266(16) 3_455
Pb2 O2 2.266(16) 1_565
Pb2 O2 2.266(16) 3_355
Pb2 O2 2.266(16) .
Pb2 Si1 3.6582(15) 1_445
Pb2 Pb1 3.6582(15) 1_445
Pb2 Si1 3.6582(15) 1_455
Pb2 Pb1 3.6582(15) 1_545
Pb2 Pb1 3.6582(15) 1_455
Pb2 Si1 3.6582(15) 1_545
Pb3 O2 2.370(18) 3_455
Pb3 O2 2.370(18) 1_565
Pb3 O2 2.370(18) 3_465
Pb3 O2 2.370(18) 1_665
Pb3 Cl1 3.198(8) 1_665
Pb3 Cl1 3.198(8) .
Pb3 Cl1 3.198(8) 1_565
Pb3 Cl1 3.198(8) 1_655
Pb3 Cl1 3.546(10) 9_556
Pb3 Cl1 3.546(10) 9_456
Pb3 Cl1 3.546(10) 9_546
Pb3 Cl1 3.546(10) 9_446
Cl1 Cl1 0.61(3) 9_446
Cl1 Pb3 3.198(8) 1_445
Cl1 Pb3 3.198(8) 1_455
Cl1 Pb3 3.198(8) 1_545
Cl1 Pb3 3.546(10) 9_556
Cl1 Pb3 3.546(10) 9_456
Cl1 Pb3 3.546(10) 9_546
Cl1 Pb3 3.546(10) 9_446
Cl1 Cl1 3.8890(7) 1_565
Cl1 Cl1 3.8890(7) 1_545
Cl1 Cl1 3.8890(7) 1_455
O1 Si1 2.3239(8) 13_445
O1 Pb1 2.3239(8) 13_445
O1 Si1 2.3239(8) 13_455
O1 Pb1 2.3239(8) 13_455
O1 Si1 2.3239(8) 1_455
O1 Pb1 2.3239(8) 1_455
O2 Si2 2.266(16) 1_545
O2 Pb2 2.266(16) 1_545
O2 Pb3 2.370(18) 1_545
O2 Pb3 2.370(18) 1_445
