#------------------------------------------------------------------------------
#$Date: 2021-06-10 11:30:42 +0300 (Thu, 10 Jun 2021) $
#$Revision: 266354 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/32/1563288.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_1563288
loop_
_publ_author_name
'Lei, Xiao-Wu'
_publ_section_title
;
 K2Mg5−xSn3 and K3Mg18Tt11 (Tt=Sn, pb) with two types of Mg--Sn/Pb
 frameworks
;
_journal_issue                   4
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              852
_journal_page_last               858
_journal_paper_doi               10.1016/j.jssc.2011.02.003
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'K3 Mg18 Pb11'
_chemical_formula_weight         2833.97
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   11.9615(6)
_cell_length_b                   11.9615(6)
_cell_length_c                   13.9090(13)
_cell_measurement_temperature    293(2)
_cell_volume                     1723.4(2)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0626
_diffrn_reflns_av_sigmaI/netI    0.0271
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13209
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    54.196
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.1950
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Gray
_exptl_crystal_density_diffrn    5.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2350
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.578
_refine_diff_density_min         -2.647
_refine_diff_density_rms         0.427
_refine_ls_extinction_coef       0.00055(4)
_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    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     60
_refine_ls_number_reflns         1373
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.177
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0380P)²+2.8083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0803
_refine_ls_wR_factor_ref         0.0868
_reflns_number_gt                1077
_reflns_number_total             1373
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2011-184-852.CIF
_cod_data_source_block           K3Mg18Pb11
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P63/m
_cod_database_code               1563288
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.3333 0.6667 0.5825(3) 0.0092(7) Uani 1 3 d S . .
K2 K 0.6667 0.3333 0.7500 0.0108(11) Uani 1 6 d S . .
Mg1 Mg 0.2509(5) 0.1437(4) 0.7500 0.0091(10) Uani 1 2 d S . .
Mg2 Mg 0.1212(3) 0.2710(3) 0.5826(2) 0.0093(7) Uani 1 1 d . . .
Mg3 Mg 0.0562(5) 0.4315(4) 0.7500 0.0060(10) Uani 1 2 d S . .
Mg4 Mg 0.4325(3) 0.3780(3) 0.5842(2) 0.0055(7) Uani 1 1 d . . .
Pb1A Pb 0.0000 0.0000 0.6330(6) 0.0074(4) Uani 0.689(4) 3 d SPU . 1
Pb1B Pb 0.0000 0.0000 0.8949(8) 0.0074(4) Uani 0.217(11) 3 d SPU . 2
Pb1C Pb 0.0000 0.0000 0.6669(19) 0.0074(4) Uani 0.095(10) 3 d SPU . 3
Pb2 Pb 0.41113(3) 0.11596(3) 0.58458(2) 0.00251(15) Uani 1 1 d . . .
Pb3 Pb 0.29905(4) 0.41588(4) 0.7500 0.00272(17) 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
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
Pb3 K1 Pb3 83.73(6) 2_665 3_565
Pb3 K1 Pb3 83.73(6) 2_665 .
Pb3 K1 Pb3 83.73(6) 3_565 .
Pb3 K1 Pb2 133.996(9) 2_665 8_566
Pb3 K1 Pb2 78.728(9) 3_565 8_566
Pb3 K1 Pb2 135.035(9) . 8_566
Pb3 K1 Pb2 78.728(9) 2_665 7_666
Pb3 K1 Pb2 135.035(9) 3_565 7_666
Pb3 K1 Pb2 133.996(9) . 7_666
Pb2 K1 Pb2 84.40(6) 8_566 7_666
Pb3 K1 Pb2 135.035(9) 2_665 9_556
Pb3 K1 Pb2 133.996(9) 3_565 9_556
Pb3 K1 Pb2 78.728(9) . 9_556
Pb2 K1 Pb2 84.40(6) 8_566 9_556
Pb2 K1 Pb2 84.40(6) 7_666 9_556
Pb3 K1 Mg4 176.99(10) 2_665 9_556
Pb3 K1 Mg4 93.47(5) 3_565 9_556
Pb3 K1 Mg4 94.89(5) . 9_556
Pb2 K1 Mg4 46.03(6) 8_566 9_556
Pb2 K1 Mg4 104.10(10) 7_666 9_556
Pb2 K1 Mg4 46.95(6) 9_556 9_556
Pb3 K1 Mg4 93.47(5) 2_665 8_566
Pb3 K1 Mg4 94.89(5) 3_565 8_566
Pb3 K1 Mg4 176.99(10) . 8_566
Pb2 K1 Mg4 46.95(6) 8_566 8_566
Pb2 K1 Mg4 46.03(6) 7_666 8_566
Pb2 K1 Mg4 104.10(10) 9_556 8_566
Mg4 K1 Mg4 87.86(10) 9_556 8_566
Pb3 K1 Mg4 94.89(5) 2_665 7_666
Pb3 K1 Mg4 176.99(10) 3_565 7_666
Pb3 K1 Mg4 93.47(5) . 7_666
Pb2 K1 Mg4 104.10(10) 8_566 7_666
Pb2 K1 Mg4 46.95(6) 7_666 7_666
Pb2 K1 Mg4 46.03(6) 9_556 7_666
Mg4 K1 Mg4 87.86(10) 9_556 7_666
Mg4 K1 Mg4 87.86(10) 8_566 7_666
Pb3 K1 Mg3 45.67(7) 2_665 3_565
Pb3 K1 Mg3 46.89(7) 3_565 3_565
Pb3 K1 Mg3 103.43(10) . 3_565
Pb2 K1 Mg3 94.06(5) 8_566 3_565
Pb2 K1 Mg3 93.94(6) 7_666 3_565
Pb2 K1 Mg3 177.84(10) 9_556 3_565
Mg4 K1 Mg3 132.46(8) 9_556 3_565
Mg4 K1 Mg3 73.74(6) 8_566 3_565
Mg4 K1 Mg3 133.23(8) 7_666 3_565
Pb3 K1 Mg3 103.43(10) 2_665 .
Pb3 K1 Mg3 45.67(7) 3_565 .
Pb3 K1 Mg3 46.89(7) . .
Pb2 K1 Mg3 93.94(6) 8_566 .
Pb2 K1 Mg3 177.84(10) 7_666 .
Pb2 K1 Mg3 94.06(5) 9_556 .
Mg4 K1 Mg3 73.74(7) 9_556 .
Mg4 K1 Mg3 133.23(8) 8_566 .
Mg4 K1 Mg3 132.46(8) 7_666 .
Mg3 K1 Mg3 87.55(9) 3_565 .
Pb3 K1 Mg3 46.89(7) 2_665 2_665
Pb3 K1 Mg3 103.43(10) 3_565 2_665
Pb3 K1 Mg3 45.67(7) . 2_665
Pb2 K1 Mg3 177.84(10) 8_566 2_665
Pb2 K1 Mg3 94.06(5) 7_666 2_665
Pb2 K1 Mg3 93.94(6) 9_556 2_665
Mg4 K1 Mg3 133.23(8) 9_556 2_665
Mg4 K1 Mg3 132.46(8) 8_566 2_665
Mg4 K1 Mg3 73.74(6) 7_666 2_665
Mg3 K1 Mg3 87.55(9) 3_565 2_665
Mg3 K1 Mg3 87.55(9) . 2_665
Pb2 K2 Pb2 134.171(4) 11_657 .
Pb2 K2 Pb2 77.715(12) 11_657 2_655
Pb2 K2 Pb2 84.812(9) . 2_655
Pb2 K2 Pb2 84.812(9) 11_657 10_557
Pb2 K2 Pb2 77.715(12) . 10_557
Pb2 K2 Pb2 134.171(4) 2_655 10_557
Pb2 K2 Pb2 84.812(9) 11_657 12_667
Pb2 K2 Pb2 134.171(4) . 12_667
Pb2 K2 Pb2 134.171(4) 2_655 12_667
Pb2 K2 Pb2 84.812(9) 10_557 12_667
Pb2 K2 Pb2 134.171(4) 11_657 3_665
Pb2 K2 Pb2 84.812(9) . 3_665
Pb2 K2 Pb2 84.812(9) 2_655 3_665
Pb2 K2 Pb2 134.171(4) 10_557 3_665
Pb2 K2 Pb2 77.715(12) 12_667 3_665
Pb2 K2 Mg4 93.88(5) 11_657 2_655
Pb2 K2 Mg4 46.17(5) . 2_655
Pb2 K2 Mg4 47.08(5) 2_655 2_655
Pb2 K2 Mg4 93.21(5) 10_557 2_655
Pb2 K2 Mg4 177.71(5) 12_667 2_655
Pb2 K2 Mg4 104.52(5) 3_665 2_655
Pb2 K2 Mg4 46.17(5) 11_657 12_667
Pb2 K2 Mg4 177.71(5) . 12_667
Pb2 K2 Mg4 93.21(5) 2_655 12_667
Pb2 K2 Mg4 104.52(5) 10_557 12_667
Pb2 K2 Mg4 47.08(5) 12_667 12_667
Pb2 K2 Mg4 93.88(5) 3_665 12_667
Mg4 K2 Mg4 132.68(3) 2_655 12_667
Pb2 K2 Mg4 47.08(5) 11_657 11_657
Pb2 K2 Mg4 93.21(5) . 11_657
Pb2 K2 Mg4 93.88(5) 2_655 11_657
Pb2 K2 Mg4 46.17(5) 10_557 11_657
Pb2 K2 Mg4 104.52(5) 12_667 11_657
Pb2 K2 Mg4 177.71(5) 3_665 11_657
Mg4 K2 Mg4 73.25(9) 2_655 11_657
Mg4 K2 Mg4 88.06(7) 12_667 11_657
Pb2 K2 Mg4 93.21(5) 11_657 3_665
Pb2 K2 Mg4 104.52(5) . 3_665
Pb2 K2 Mg4 46.17(5) 2_655 3_665
Pb2 K2 Mg4 177.71(5) 10_557 3_665
Pb2 K2 Mg4 93.88(5) 12_667 3_665
Pb2 K2 Mg4 47.08(5) 3_665 3_665
Mg4 K2 Mg4 88.06(7) 2_655 3_665
Mg4 K2 Mg4 73.25(10) 12_667 3_665
Mg4 K2 Mg4 132.68(3) 11_657 3_665
Pb2 K2 Mg4 177.71(5) 11_657 .
Pb2 K2 Mg4 47.08(5) . .
Pb2 K2 Mg4 104.52(5) 2_655 .
Pb2 K2 Mg4 93.88(5) 10_557 .
Pb2 K2 Mg4 93.21(5) 12_667 .
Pb2 K2 Mg4 46.17(5) 3_665 .
Mg4 K2 Mg4 88.06(7) 2_655 .
Mg4 K2 Mg4 132.68(3) 12_667 .
Mg4 K2 Mg4 132.68(3) 11_657 .
Mg4 K2 Mg4 88.06(7) 3_665 .
Pb2 K2 Mg4 104.52(5) 11_657 10_557
Pb2 K2 Mg4 93.88(5) . 10_557
Pb2 K2 Mg4 177.71(5) 2_655 10_557
Pb2 K2 Mg4 47.08(5) 10_557 10_557
Pb2 K2 Mg4 46.17(5) 12_667 10_557
Pb2 K2 Mg4 93.21(5) 3_665 10_557
Mg4 K2 Mg4 132.68(3) 2_655 10_557
Mg4 K2 Mg4 88.06(7) 12_667 10_557
Mg4 K2 Mg4 88.06(7) 11_657 10_557
Mg4 K2 Mg4 132.68(3) 3_665 10_557
Mg4 K2 Mg4 73.25(9) . 10_557
Pb1C Mg1 Pb1C 47.8(10) . 10_557
Pb1C Mg1 Pb3 103.07(15) . .
Pb1C Mg1 Pb3 103.07(15) 10_557 .
Pb1C Mg1 Pb1A 8.1(4) . .
Pb1C Mg1 Pb1A 55.9(6) 10_557 .
Pb3 Mg1 Pb1A 102.12(13) . .
Pb1C Mg1 Pb1A 55.9(6) . 10_557
Pb1C Mg1 Pb1A 8.1(4) 10_557 10_557
Pb3 Mg1 Pb1A 102.12(13) . 10_557
Pb1A Mg1 Pb1A 63.9(3) . 10_557
Pb1C Mg1 Pb2 138.8(4) . 10_557
Pb1C Mg1 Pb2 98.9(4) 10_557 10_557
Pb3 Mg1 Pb2 108.66(11) . 10_557
Pb1A Mg1 Pb2 144.26(17) . 10_557
Pb1A Mg1 Pb2 91.72(12) 10_557 10_557
Pb1C Mg1 Pb2 98.9(4) . .
Pb1C Mg1 Pb2 138.8(4) 10_557 .
Pb3 Mg1 Pb2 108.66(11) . .
Pb1A Mg1 Pb2 91.72(12) . .
Pb1A Mg1 Pb2 144.26(17) 10_557 .
Pb2 Mg1 Pb2 95.18(13) 10_557 .
Pb1C Mg1 Pb1B 13.8(4) . 10_557
Pb1C Mg1 Pb1B 61.6(6) 10_557 10_557
Pb3 Mg1 Pb1B 101.29(12) . 10_557
Pb1A Mg1 Pb1B 5.74(8) . 10_557
Pb1A Mg1 Pb1B 69.7(3) 10_557 10_557
Pb2 Mg1 Pb1B 147.57(17) 10_557 10_557
Pb2 Mg1 Pb1B 86.62(15) . 10_557
Pb1C Mg1 Pb1B 61.6(6) . .
Pb1C Mg1 Pb1B 13.8(4) 10_557 .
Pb3 Mg1 Pb1B 101.29(12) . .
Pb1A Mg1 Pb1B 69.7(3) . .
Pb1A Mg1 Pb1B 5.74(8) 10_557 .
Pb2 Mg1 Pb1B 86.62(15) 10_557 .
Pb2 Mg1 Pb1B 147.57(17) . .
Pb1B Mg1 Pb1B 75.4(3) 10_557 .
Pb1C Mg1 Mg3 105.99(16) . 3
Pb1C Mg1 Mg3 105.99(16) 10_557 3
Pb3 Mg1 Mg3 148.14(18) . 3
Pb1A Mg1 Mg3 104.82(13) . 3
Pb1A Mg1 Mg3 104.82(13) 10_557 3
Pb2 Mg1 Mg3 54.19(8) 10_557 3
Pb2 Mg1 Mg3 54.19(8) . 3
Pb1B Mg1 Mg3 103.80(13) 10_557 3
Pb1B Mg1 Mg3 103.80(13) . 3
Pb1C Mg1 Mg4 144.0(3) . 10_557
Pb1C Mg1 Mg4 105.4(4) 10_557 10_557
Pb3 Mg1 Mg4 54.31(9) . 10_557
Pb1A Mg1 Mg4 148.60(18) . 10_557
Pb1A Mg1 Mg4 98.21(13) 10_557 10_557
Pb2 Mg1 Mg4 54.53(7) 10_557 10_557
Pb2 Mg1 Mg4 114.27(15) . 10_557
Pb1B Mg1 Mg4 151.06(17) 10_557 10_557
Pb1B Mg1 Mg4 93.10(16) . 10_557
Mg3 Mg1 Mg4 104.73(13) 3 10_557
Pb1C Mg1 Mg4 105.4(4) . .
Pb1C Mg1 Mg4 144.0(3) 10_557 .
Pb3 Mg1 Mg4 54.31(9) . .
Pb1A Mg1 Mg4 98.21(13) . .
Pb1A Mg1 Mg4 148.60(18) 10_557 .
Pb2 Mg1 Mg4 114.27(15) 10_557 .
Pb2 Mg1 Mg4 54.53(7) . .
Pb1B Mg1 Mg4 93.10(16) 10_557 .
Pb1B Mg1 Mg4 151.06(17) . .
Mg3 Mg1 Mg4 104.73(13) 3 .
Mg4 Mg1 Mg4 84.34(15) 10_557 .
Pb1B Mg2 Pb1A 7.65(13) 10_557 .
Pb1B Mg2 Pb2 98.17(10) 10_557 2
Pb1A Mg2 Pb2 97.91(10) . 2
Pb1B Mg2 Pb2 122.6(2) 10_557 9_556
Pb1A Mg2 Pb2 129.02(17) . 9_556
Pb2 Mg2 Pb2 112.21(10) 2 9_556
Pb1B Mg2 Pb3 112.3(2) 10_557 .
Pb1A Mg2 Pb3 105.56(17) . .
Pb2 Mg2 Pb3 111.37(10) 2 .
Pb2 Mg2 Pb3 100.50(10) 9_556 .
Pb1B Mg2 Pb1C 16.3(3) 10_557 .
Pb1A Mg2 Pb1C 8.6(3) . .
Pb2 Mg2 Pb1C 97.44(10) 2 .
Pb2 Mg2 Pb1C 135.9(4) 9_556 .
Pb3 Mg2 Pb1C 97.9(4) . .
Pb1B Mg2 Mg4 106.14(11) 10_557 .
Pb1A Mg2 Mg4 105.70(11) . .
Pb2 Mg2 Mg4 155.41(14) 2 .
Pb2 Mg2 Mg4 56.87(8) 9_556 .
Pb3 Mg2 Mg4 55.83(8) . .
Pb1C Mg2 Mg4 104.85(12) . .
Pb1B Mg2 Mg3 116.6(2) 10_557 .
Pb1A Mg2 Mg3 110.09(18) . .
Pb2 Mg2 Mg3 55.59(9) 2 .
Pb2 Mg2 Mg3 120.81(13) 9_556 .
Pb3 Mg2 Mg3 55.80(9) . .
Pb1C Mg2 Mg3 102.7(4) . .
Mg4 Mg2 Mg3 108.41(14) . .
Pb1B Mg2 Mg4 127.0(2) 10_557 9_556
Pb1A Mg2 Mg4 132.84(17) . 9_556
Pb2 Mg2 Mg4 56.05(8) 2 9_556
Pb2 Mg2 Mg4 56.17(8) 9_556 9_556
Pb3 Mg2 Mg4 120.00(12) . 9_556
Pb1C Mg2 Mg4 138.9(3) . 9_556
Mg4 Mg2 Mg4 109.28(11) . 9_556
Mg3 Mg2 Mg4 87.74(11) . 9_556
Pb1B Mg2 Mg1 61.18(19) 10_557 .
Pb1A Mg2 Mg1 56.03(13) . .
Pb2 Mg2 Mg1 132.60(12) 2 .
Pb2 Mg2 Mg1 114.74(12) 9_556 .
Pb3 Mg2 Mg1 53.80(9) . .
Pb1C Mg2 Mg1 50.7(3) . .
Mg4 Mg2 Mg1 60.42(11) . .
Mg3 Mg2 Mg1 93.83(11) . .
Mg4 Mg2 Mg1 169.53(15) 9_556 .
Pb1B Mg2 Mg1 60.03(19) 10_557 2
Pb1A Mg2 Mg1 54.97(13) . 2
Pb2 Mg2 Mg1 55.28(9) 2 2
Pb2 Mg2 Mg1 166.68(12) 9_556 2
Pb3 Mg2 Mg1 89.40(9) . 2
Pb1C Mg2 Mg1 49.8(3) . 2
Mg4 Mg2 Mg1 136.36(12) . 2
Mg3 Mg2 Mg1 58.07(12) . 2
Mg4 Mg2 Mg1 111.10(12) 9_556 2
Mg1 Mg2 Mg1 78.31(14) . 2
Pb1B Mg2 Mg2 71.64(17) 10_557 9_556
Pb1A Mg2 Mg2 77.13(11) . 9_556
Pb2 Mg2 Mg2 52.98(8) 2 9_556
Pb2 Mg2 Mg2 89.07(13) 9_556 9_556
Pb3 Mg2 Mg2 164.20(12) . 9_556
Pb1C Mg2 Mg2 83.5(3) . 9_556
Mg4 Mg2 Mg2 139.16(14) . 9_556
Mg3 Mg2 Mg2 108.49(13) . 9_556
Mg4 Mg2 Mg2 55.72(12) 9_556 9_556
Mg1 Mg2 Mg2 132.81(10) . 9_556
Mg1 Mg2 Mg2 79.40(8) 2 9_556
Pb3 Mg3 Pb2 109.02(11) 3_565 2
Pb3 Mg3 Pb2 109.02(11) 3_565 11_557
Pb2 Mg3 Pb2 101.44(14) 2 11_557
Pb3 Mg3 Pb3 110.71(15) 3_565 .
Pb2 Mg3 Pb3 113.11(10) 2 .
Pb2 Mg3 Pb3 113.11(10) 11_557 .
Pb3 Mg3 Mg2 129.09(11) 3_565 .
Pb2 Mg3 Mg2 56.15(7) 2 .
Pb2 Mg3 Mg2 121.32(15) 11_557 .
Pb3 Mg3 Mg2 56.97(9) . .
Pb3 Mg3 Mg2 129.09(11) 3_565 10_557
Pb2 Mg3 Mg2 121.32(15) 2 10_557
Pb2 Mg3 Mg2 56.15(7) 11_557 10_557
Pb3 Mg3 Mg2 56.97(9) . 10_557
Mg2 Mg3 Mg2 88.15(15) . 10_557
Pb3 Mg3 Mg1 154.71(19) 3_565 2
Pb2 Mg3 Mg1 58.22(9) 2 2
Pb2 Mg3 Mg1 58.22(9) 11_557 2
Pb3 Mg3 Mg1 94.58(14) . 2
Mg2 Mg3 Mg1 64.98(11) . 2
Mg2 Mg3 Mg1 64.98(11) 10_557 2
Pb3 Mg3 Mg4 54.72(8) 3_565 12_567
Pb2 Mg3 Mg4 116.90(15) 2 12_567
Pb2 Mg3 Mg4 54.30(7) 11_557 12_567
Pb3 Mg3 Mg4 129.91(11) . 12_567
Mg2 Mg3 Mg4 172.16(18) . 12_567
Mg2 Mg3 Mg4 93.42(8) 10_557 12_567
Mg1 Mg3 Mg4 108.81(14) 2 12_567
Pb3 Mg3 Mg4 54.72(8) 3_565 3_565
Pb2 Mg3 Mg4 54.30(7) 2 3_565
Pb2 Mg3 Mg4 116.90(15) 11_557 3_565
Pb3 Mg3 Mg4 129.91(11) . 3_565
Mg2 Mg3 Mg4 93.42(8) . 3_565
Mg2 Mg3 Mg4 172.16(18) 10_557 3_565
Mg1 Mg3 Mg4 108.81(14) 2 3_565
Mg4 Mg3 Mg4 84.01(14) 12_567 3_565
Pb3 Mg3 K1 63.24(8) 3_565 10_557
Pb2 Mg3 K1 166.05(12) 2 10_557
Pb2 Mg3 K1 92.26(5) 11_557 10_557
Pb3 Mg3 K1 62.74(8) . 10_557
Mg2 Mg3 K1 118.37(14) . 10_557
Mg2 Mg3 K1 68.80(9) 10_557 10_557
Mg1 Mg3 K1 133.56(10) 2 10_557
Mg4 Mg3 K1 69.26(8) 12_567 10_557
Mg4 Mg3 K1 116.80(14) 3_565 10_557
Pb3 Mg3 K1 63.24(8) 3_565 .
Pb2 Mg3 K1 92.26(5) 2 .
Pb2 Mg3 K1 166.05(12) 11_557 .
Pb3 Mg3 K1 62.74(8) . .
Mg2 Mg3 K1 68.80(9) . .
Mg2 Mg3 K1 118.37(14) 10_557 .
Mg1 Mg3 K1 133.56(10) 2 .
Mg4 Mg3 K1 116.80(14) 12_567 .
Mg4 Mg3 K1 69.26(8) 3_565 .
K1 Mg3 K1 73.95(12) 10_557 .
Pb3 Mg3 K2 86.39(11) 3_565 1_455
Pb2 Mg3 K2 58.59(8) 2 1_455
Pb2 Mg3 K2 58.59(8) 11_557 1_455
Pb3 Mg3 K2 162.90(15) . 1_455
Mg2 Mg3 K2 112.54(11) . 1_455
Mg2 Mg3 K2 112.54(11) 10_557 1_455
Mg1 Mg3 K2 68.32(12) 2 1_455
Mg4 Mg3 K2 59.81(9) 12_567 1_455
Mg4 Mg3 K2 59.81(9) 3_565 1_455
K1 Mg3 K2 129.07(9) 10_557 1_455
K1 Mg3 K2 129.07(9) . 1_455
Pb2 Mg4 Pb3 108.39(10) 3_665 .
Pb2 Mg4 Pb2 109.30(10) 3_665 9_556
Pb3 Mg4 Pb2 102.48(10) . 9_556
Pb2 Mg4 Pb2 111.78(10) 3_665 .
Pb3 Mg4 Pb2 112.66(10) . .
Pb2 Mg4 Pb2 111.78(10) 9_556 .
Pb2 Mg4 Mg2 152.19(14) 3_665 .
Pb3 Mg4 Mg2 58.10(8) . .
Pb2 Mg4 Mg2 57.08(8) 9_556 .
Pb2 Mg4 Mg2 96.02(11) . .
Pb2 Mg4 Mg2 129.37(12) 3_665 8_556
Pb3 Mg4 Mg2 121.76(12) . 8_556
Pb2 Mg4 Mg2 55.76(8) 9_556 8_556
Pb2 Mg4 Mg2 56.03(8) . 8_556
Mg2 Mg4 Mg2 66.34(13) . 8_556
Pb2 Mg4 Mg1 132.18(12) 3_665 .
Pb3 Mg4 Mg1 55.51(9) . .
Pb2 Mg4 Mg1 117.91(12) 9_556 .
Pb2 Mg4 Mg1 57.33(9) . .
Mg2 Mg4 Mg1 63.55(11) . .
Mg2 Mg4 Mg1 85.91(11) 8_556 .
Pb2 Mg4 Mg3 54.66(9) 3_665 2_665
Pb3 Mg4 Mg3 53.73(9) . 2_665
Pb2 Mg4 Mg3 117.73(12) 9_556 2_665
Pb2 Mg4 Mg3 130.36(12) . 2_665
Mg2 Mg4 Mg3 107.26(13) . 2_665
Mg2 Mg4 Mg3 172.42(15) 8_556 2_665
Mg1 Mg4 Mg3 94.85(11) . 2_665
Pb2 Mg4 Mg4 55.24(9) 3_665 7_666
Pb3 Mg4 Mg4 117.30(15) . 7_666
Pb2 Mg4 Mg4 54.07(9) 9_556 7_666
Pb2 Mg4 Mg4 129.90(15) . 7_666
Mg2 Mg4 Mg4 106.61(15) . 7_666
Mg2 Mg4 Mg4 93.12(14) 8_556 7_666
Mg1 Mg4 Mg4 169.61(18) . 7_666
Mg3 Mg4 Mg4 84.76(13) 2_665 7_666
Pb2 Mg4 K2 63.37(6) 3_665 .
Pb3 Mg4 K2 92.27(8) . .
Pb2 Mg4 K2 165.13(11) 9_556 .
Pb2 Mg4 K2 62.99(6) . .
Mg2 Mg4 K2 135.26(11) . .
Mg2 Mg4 K2 117.49(11) 8_556 .
Mg1 Mg4 K2 72.12(9) . .
Mg3 Mg4 K2 69.80(9) 2_665 .
Mg4 Mg4 K2 117.18(13) 7_666 .
Pb2 Mg4 K1 63.57(6) 3_665 7_666
Pb3 Mg4 K1 165.49(12) . 7_666
Pb2 Mg4 K1 91.80(10) 9_556 7_666
Pb2 Mg4 K1 63.19(6) . 7_666
Mg2 Mg4 K1 134.51(12) . 7_666
Mg2 Mg4 K1 68.68(9) 8_556 7_666
Mg1 Mg4 K1 119.67(12) . 7_666
Mg3 Mg4 K1 117.02(12) 2_665 7_666
Mg4 Mg4 K1 69.23(11) 7_666 7_666
K2 Mg4 K1 73.39(7) . 7_666
Pb2 Mg4 K1 86.67(8) 3_665 .
Pb3 Mg4 K1 58.72(7) . .
Pb2 Mg4 K1 59.07(7) 9_556 .
Pb2 Mg4 K1 161.55(10) . .
Mg2 Mg4 K1 65.53(8) . .
Mg2 Mg4 K1 112.48(11) 8_556 .
Mg1 Mg4 K1 110.70(11) . .
Mg3 Mg4 K1 60.20(10) 2_665 .
Mg4 Mg4 K1 60.18(10) 7_666 .
K2 Mg4 K1 130.00(9) . .
K1 Mg4 K1 129.41(8) 7_666 .
Mg2 Pb1A Mg2 114.35(13) 2 .
Mg2 Pb1A Mg2 114.35(13) 2 3
Mg2 Pb1A Mg2 114.35(13) . 3
Mg2 Pb1A Mg1 162.0(3) 2 .
Mg2 Pb1A Mg1 72.55(11) . .
Mg2 Pb1A Mg1 74.50(11) 3 .
Mg2 Pb1A Mg1 74.50(11) 2 3
Mg2 Pb1A Mg1 162.0(3) . 3
Mg2 Pb1A Mg1 72.55(11) 3 3
Mg1 Pb1A Mg1 94.57(18) . 3
Mg2 Pb1A Mg1 72.55(11) 2 2
Mg2 Pb1A Mg1 74.50(11) . 2
Mg2 Pb1A Mg1 162.0(3) 3 2
Mg1 Pb1A Mg1 94.57(18) . 2
Mg1 Pb1A Mg1 94.57(18) 3 2
Mg2 Pb1A Pb1A 103.99(16) 2 10_557
Mg2 Pb1A Pb1A 103.99(16) . 10_557
Mg2 Pb1A Pb1A 103.99(16) 3 10_557
Mg1 Pb1A Pb1A 58.04(13) . 10_557
Mg1 Pb1A Pb1A 58.04(13) 3 10_557
Mg1 Pb1A Pb1A 58.04(13) 2 10_557
Mg2 Pb1A Pb1A 76.01(16) 2 7_556
Mg2 Pb1A Pb1A 76.01(16) . 7_556
Mg2 Pb1A Pb1A 76.01(16) 3 7_556
Mg1 Pb1A Pb1A 121.96(13) . 7_556
Mg1 Pb1A Pb1A 121.96(13) 3 7_556
Mg1 Pb1A Pb1A 121.96(13) 2 7_556
Pb1A Pb1A Pb1A 180.000(2) 10_557 7_556
Mg2 Pb1B Mg2 118.80(9) 10_557 11_557
Mg2 Pb1B Mg2 118.80(9) 10_557 12_557
Mg2 Pb1B Mg2 118.80(9) 11_557 12_557
Mg2 Pb1B Pb1B 83.7(2) 10_557 7_557
Mg2 Pb1B Pb1B 83.7(2) 11_557 7_557
Mg2 Pb1B Pb1B 83.7(2) 12_557 7_557
Mg2 Pb1B Mg1 148.6(4) 10_557 3
Mg2 Pb1B Mg1 71.94(14) 11_557 3
Mg2 Pb1B Mg1 70.05(14) 12_557 3
Pb1B Pb1B Mg1 127.70(17) 7_557 3
Mg2 Pb1B Mg1 71.94(14) 10_557 2
Mg2 Pb1B Mg1 70.05(14) 11_557 2
Mg2 Pb1B Mg1 148.6(4) 12_557 2
Pb1B Pb1B Mg1 127.70(17) 7_557 2
Mg1 Pb1B Mg1 86.5(2) 3 2
Mg2 Pb1B Mg1 70.05(14) 10_557 .
Mg2 Pb1B Mg1 148.6(4) 11_557 .
Mg2 Pb1B Mg1 71.94(14) 12_557 .
Pb1B Pb1B Mg1 127.70(17) 7_557 .
Mg1 Pb1B Mg1 86.5(2) 3 .
Mg1 Pb1B Mg1 86.5(2) 2 .
Pb1C Pb1C Mg1 66.1(5) 10_557 .
Pb1C Pb1C Mg1 66.1(5) 10_557 3
Mg1 Pb1C Mg1 104.7(6) . 3
Pb1C Pb1C Mg1 66.1(5) 10_557 2
Mg1 Pb1C Mg1 104.7(6) . 2
Mg1 Pb1C Mg1 104.7(6) 3 2
Pb1C Pb1C Mg2 112.6(5) 10_557 2
Mg1 Pb1C Mg2 178.2(7) . 2
Mg1 Pb1C Mg2 75.57(10) 3 2
Mg1 Pb1C Mg2 73.58(10) 2 2
Pb1C Pb1C Mg2 112.6(5) 10_557 .
Mg1 Pb1C Mg2 73.58(10) . .
Mg1 Pb1C Mg2 178.2(7) 3 .
Mg1 Pb1C Mg2 75.57(10) 2 .
Mg2 Pb1C Mg2 106.1(5) 2 .
Pb1C Pb1C Mg2 112.6(5) 10_557 3
Mg1 Pb1C Mg2 75.57(10) . 3
Mg1 Pb1C Mg2 73.58(10) 3 3
Mg1 Pb1C Mg2 178.2(7) 2 3
Mg2 Pb1C Mg2 106.1(5) 2 3
Mg2 Pb1C Mg2 106.1(5) . 3
Mg4 Pb2 Mg3 71.04(10) 2_655 3
Mg4 Pb2 Mg2 112.38(9) 2_655 3
Mg3 Pb2 Mg2 68.26(11) 3 3
Mg4 Pb2 Mg4 70.70(10) 2_655 8_556
Mg3 Pb2 Mg4 102.14(10) 3 8_556
Mg2 Pb2 Mg4 68.19(9) 3 8_556
Mg4 Pb2 Mg2 129.28(9) 2_655 8_556
Mg3 Pb2 Mg2 142.56(11) 3 8_556
Mg2 Pb2 Mg2 74.47(12) 3 8_556
Mg4 Pb2 Mg2 66.04(9) 8_556 8_556
Mg4 Pb2 Mg4 128.21(11) 2_655 .
Mg3 Pb2 Mg4 129.02(9) 3 .
Mg2 Pb2 Mg4 119.40(9) 3 .
Mg4 Pb2 Mg4 128.20(6) 8_556 .
Mg2 Pb2 Mg4 67.81(8) 8_556 .
Mg4 Pb2 Mg1 132.35(9) 2_655 .
Mg3 Pb2 Mg1 67.59(11) 3 .
Mg2 Pb2 Mg1 72.61(11) 3 .
Mg4 Pb2 Mg1 140.35(10) 8_556 .
Mg2 Pb2 Mg1 98.21(9) 8_556 .
Mg4 Pb2 Mg1 68.14(10) . .
Mg4 Pb2 K2 70.46(6) 2_655 .
Mg3 Pb2 K2 77.65(8) 3 .
Mg2 Pb2 K2 141.56(6) 3 .
Mg4 Pb2 K2 138.78(6) 8_556 .
Mg2 Pb2 K2 135.41(6) 8_556 .
Mg4 Pb2 K2 69.92(6) . .
Mg1 Pb2 K2 78.47(8) . .
Mg4 Pb2 K1 70.40(7) 2_655 7_666
Mg3 Pb2 K1 139.39(9) 3 7_666
Mg2 Pb2 K1 140.24(8) 3 7_666
Mg4 Pb2 K1 76.54(8) 8_556 7_666
Mg2 Pb2 K1 74.87(8) 8_556 7_666
Mg4 Pb2 K1 69.87(6) . 7_666
Mg1 Pb2 K1 136.75(9) . 7_666
K2 Pb2 K1 77.99(4) . 7_666
Mg3 Pb3 Mg4 71.55(8) 2_665 10_557
Mg3 Pb3 Mg4 71.55(8) 2_665 .
Mg4 Pb3 Mg4 102.09(13) 10_557 .
Mg3 Pb3 Mg3 129.29(15) 2_665 .
Mg4 Pb3 Mg3 128.38(6) 10_557 .
Mg4 Pb3 Mg3 128.38(6) . .
Mg3 Pb3 Mg1 117.16(13) 2_665 .
Mg4 Pb3 Mg1 70.19(8) 10_557 .
Mg4 Pb3 Mg1 70.19(8) . .
Mg3 Pb3 Mg1 113.55(13) . .
Mg3 Pb3 Mg2 130.05(6) 2_665 .
Mg4 Pb3 Mg2 141.65(9) 10_557 .
Mg4 Pb3 Mg2 66.07(9) . .
Mg3 Pb3 Mg2 67.23(8) . .
Mg1 Pb3 Mg2 71.51(8) . .
Mg3 Pb3 Mg2 130.05(6) 2_665 10_557
Mg4 Pb3 Mg2 66.07(9) 10_557 10_557
Mg4 Pb3 Mg2 141.65(9) . 10_557
Mg3 Pb3 Mg2 67.23(8) . 10_557
Mg1 Pb3 Mg2 71.51(8) . 10_557
Mg2 Pb3 Mg2 99.81(13) . 10_557
Mg3 Pb3 K1 71.09(7) 2_665 10_557
Mg4 Pb3 K1 77.39(8) 10_557 10_557
Mg4 Pb3 K1 140.61(7) . 10_557
Mg3 Pb3 K1 70.37(7) . 10_557
Mg1 Pb3 K1 140.35(4) . 10_557
Mg2 Pb3 K1 135.60(7) . 10_557
Mg2 Pb3 K1 74.90(7) 10_557 10_557
Mg3 Pb3 K1 71.09(7) 2_665 .
Mg4 Pb3 K1 140.61(7) 10_557 .
Mg4 Pb3 K1 77.39(8) . .
Mg3 Pb3 K1 70.37(7) . .
Mg1 Pb3 K1 140.35(4) . .
Mg2 Pb3 K1 74.90(7) . .
Mg2 Pb3 K1 135.60(7) 10_557 .
K1 Pb3 K1 79.18(9) 10_557 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 Pb3 3.656(2) 2_665
K1 Pb3 3.656(2) 3_565
K1 Pb3 3.656(2) .
K1 Pb2 3.682(2) 8_566
K1 Pb2 3.682(2) 7_666
K1 Pb2 3.682(2) 9_556
K1 Mg4 3.873(4) 9_556
K1 Mg4 3.873(4) 8_566
K1 Mg4 3.873(4) 7_666
K1 Mg3 3.874(4) 3_565
K1 Mg3 3.874(4) .
K1 Mg3 3.874(4) 2_665
K2 Pb2 3.6674(4) 11_657
K2 Pb2 3.6674(4) .
K2 Pb2 3.6674(4) 2_655
K2 Pb2 3.6674(4) 10_557
K2 Pb2 3.6674(4) 12_667
K2 Pb2 3.6674(4) 3_665
K2 Mg4 3.866(3) 2_655
K2 Mg4 3.866(3) 12_667
K2 Mg4 3.866(3) 11_657
K2 Mg4 3.866(3) 3_665
K2 Mg4 3.866(3) .
K2 Mg4 3.866(3) 10_557
Mg1 Pb1C 2.853(12) .
Mg1 Pb1C 2.853(12) 10_557
Mg1 Pb3 3.010(5) .
Mg1 Pb1A 3.075(6) .
Mg1 Pb1A 3.075(6) 10_557
Mg1 Pb2 3.116(3) 10_557
Mg1 Pb2 3.116(3) .
Mg1 Pb1B 3.297(8) 10_557
Mg1 Pb1B 3.297(8) .
Mg1 Mg3 3.389(7) 3
Mg1 Mg4 3.436(5) 10_557
Mg1 Mg4 3.436(5) .
Mg2 Pb1B 2.830(4) 10_557
Mg2 Pb1A 2.898(4) .
Mg2 Pb2 2.992(3) 2
Mg2 Pb2 3.010(3) 9_556
Mg2 Pb3 3.043(3) .
Mg2 Pb1C 3.047(11) .
Mg2 Mg4 3.276(5) .
Mg2 Mg3 3.347(5) .
Mg2 Mg4 3.360(5) 9_556
Mg2 Mg1 3.618(5) 2
Mg2 Mg2 3.632(5) 9_556
Mg3 Pb3 2.929(4) 3_565
Mg3 Pb2 2.973(3) 2
Mg3 Pb2 2.973(3) 11_557
Mg3 Pb3 3.002(5) .
Mg3 Mg2 3.347(5) 10_557
Mg3 Mg1 3.389(7) 2
Mg3 Mg4 3.446(5) 12_567
Mg3 Mg4 3.446(5) 3_565
Mg3 K1 3.874(4) 10_557
Mg3 K2 4.198(5) 1_455
Mg4 Pb2 2.959(3) 3_665
Mg4 Pb3 2.966(3) .
Mg4 Pb2 3.003(3) 9_556
Mg4 Pb2 3.015(3) .
Mg4 Mg2 3.360(5) 8_556
Mg4 Mg3 3.446(5) 2_665
Mg4 Mg4 3.450(6) 7_666
Mg4 K1 3.873(4) 7_666
Pb1A Mg2 2.898(4) 2
Pb1A Mg2 2.898(4) 3
Pb1A Mg1 3.075(6) 3
Pb1A Mg1 3.075(6) 2
Pb1A Pb1A 3.255(16) 10_557
Pb1A Pb1A 3.699(16) 7_556
Pb1B Mg2 2.830(4) 10_557
Pb1B Mg2 2.830(4) 11_557
Pb1B Mg2 2.830(4) 12_557
Pb1B Pb1B 2.92(2) 7_557
Pb1B Mg1 3.297(8) 3
Pb1B Mg1 3.297(8) 2
Pb1C Pb1C 2.31(5) 10_557
Pb1C Mg1 2.853(12) 3
Pb1C Mg1 2.853(12) 2
Pb1C Mg2 3.047(11) 2
Pb1C Mg2 3.047(11) 3
Pb2 Mg4 2.959(3) 2_655
Pb2 Mg3 2.973(3) 3
Pb2 Mg2 2.992(3) 3
Pb2 Mg4 3.003(3) 8_556
Pb2 Mg2 3.010(3) 8_556
Pb2 K1 3.682(2) 7_666
Pb3 Mg3 2.929(5) 2_665
Pb3 Mg4 2.966(3) 10_557
Pb3 Mg2 3.043(3) 10_557
Pb3 K1 3.656(2) 10_557
