#------------------------------------------------------------------------------
#$Date: 2021-06-10 11:30:42 +0300 (Thu, 10 Jun 2021) $
#$Revision: 266354 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/32/1563287.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_1563287
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 Sn11'
_chemical_formula_weight         1860.47
_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                   11.8429(6)
_cell_length_b                   11.8429(6)
_cell_length_c                   13.8128(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1677.8(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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0157
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11198
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.47
_exptl_absorpt_coefficient_mu    8.741
_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    3.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1646
_exptl_crystal_size_max          0.4000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         2.979
_refine_diff_density_min         -1.531
_refine_diff_density_rms         0.212
_refine_ls_extinction_coef       0.00051(3)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     59
_refine_ls_number_reflns         1340
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0412
_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)+(0.0206P)²+25.8456P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0765
_refine_ls_wR_factor_ref         0.0782
_reflns_number_gt                1267
_reflns_number_total             1340
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2011-184-852.CIF
_cod_data_source_block           K3Mg18Sn11
_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               1563287
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 0.5827(2) 0.0187(5) Uani 1 3 d S . .
K2 K 0.6667 0.3333 0.7500 0.0196(7) Uani 1 6 d S . .
Mg1 Mg 0.2575(3) 0.1461(3) 0.7500 0.0180(7) Uani 1 2 d S . .
Mg2 Mg 0.1230(2) 0.2702(2) 0.58326(16) 0.0117(4) Uani 1 1 d . . .
Mg3 Mg 0.0579(3) 0.4323(3) 0.7500 0.0147(6) Uani 1 2 d S . .
Mg4 Mg 0.4337(2) 0.3773(2) 0.58372(16) 0.0136(4) Uani 1 1 d . . .
Sn1A Sn 0.0000 0.0000 0.6355(5) 0.0164(3) Uani 0.739(3) 3 d SPU . 1
Sn1B Sn 0.0000 0.0000 0.6684(10) 0.0164(3) Uani 0.181(9) 3 d SPU . 2
Sn1C Sn 0.0000 0.0000 0.598(2) 0.0164(3) Uani 0.080(8) 3 d SPU . 3
Sn2 Sn 0.40827(4) 0.11335(4) 0.58385(3) 0.01074(14) Uani 1 1 d . . .
Sn3 Sn 0.29948(5) 0.41351(6) 0.7500 0.01053(16) 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'
Sn Sn -0.6537 1.4246 '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
Sn3 K1 Sn3 84.10(5) 2_665 3_565
Sn3 K1 Sn3 84.10(5) 2_665 .
Sn3 K1 Sn3 84.10(5) 3_565 .
Sn3 K1 Sn2 133.702(11) 2_665 8_566
Sn3 K1 Sn2 78.157(11) 3_565 8_566
Sn3 K1 Sn2 134.936(11) . 8_566
Sn3 K1 Sn2 78.157(11) 2_665 7_666
Sn3 K1 Sn2 134.936(11) 3_565 7_666
Sn3 K1 Sn2 133.702(11) . 7_666
Sn2 K1 Sn2 84.88(5) 8_566 7_666
Sn3 K1 Sn2 134.936(11) 2_665 9_556
Sn3 K1 Sn2 133.702(11) 3_565 9_556
Sn3 K1 Sn2 78.157(11) . 9_556
Sn2 K1 Sn2 84.88(5) 8_566 9_556
Sn2 K1 Sn2 84.88(5) 7_666 9_556
Sn3 K1 Mg4 177.38(7) 2_665 9_556
Sn3 K1 Mg4 93.39(3) 3_565 9_556
Sn3 K1 Mg4 94.92(3) . 9_556
Sn2 K1 Mg4 46.08(4) 8_566 9_556
Sn2 K1 Mg4 104.21(7) 7_666 9_556
Sn2 K1 Mg4 46.94(4) 9_556 9_556
Sn3 K1 Mg4 93.39(3) 2_665 8_566
Sn3 K1 Mg4 94.92(3) 3_565 8_566
Sn3 K1 Mg4 177.38(7) . 8_566
Sn2 K1 Mg4 46.94(4) 8_566 8_566
Sn2 K1 Mg4 46.08(4) 7_666 8_566
Sn2 K1 Mg4 104.21(7) 9_556 8_566
Mg4 K1 Mg4 87.56(7) 9_556 8_566
Sn3 K1 Mg4 94.92(3) 2_665 7_666
Sn3 K1 Mg4 177.38(7) 3_565 7_666
Sn3 K1 Mg4 93.39(3) . 7_666
Sn2 K1 Mg4 104.21(7) 8_566 7_666
Sn2 K1 Mg4 46.94(4) 7_666 7_666
Sn2 K1 Mg4 46.08(4) 9_556 7_666
Mg4 K1 Mg4 87.56(7) 9_556 7_666
Mg4 K1 Mg4 87.56(7) 8_566 7_666
Sn3 K1 Mg3 45.65(5) 2_665 3_565
Sn3 K1 Mg3 46.91(5) 3_565 3_565
Sn3 K1 Mg3 103.49(7) . 3_565
Sn2 K1 Mg3 93.92(4) 8_566 3_565
Sn2 K1 Mg3 93.91(4) 7_666 3_565
Sn2 K1 Mg3 178.36(7) 9_556 3_565
Mg4 K1 Mg3 132.55(6) 9_556 3_565
Mg4 K1 Mg3 74.15(4) 8_566 3_565
Mg4 K1 Mg3 133.41(6) 7_666 3_565
Sn3 K1 Mg3 103.49(7) 2_665 .
Sn3 K1 Mg3 45.65(5) 3_565 .
Sn3 K1 Mg3 46.91(5) . .
Sn2 K1 Mg3 93.91(4) 8_566 .
Sn2 K1 Mg3 178.36(7) 7_666 .
Sn2 K1 Mg3 93.92(4) 9_556 .
Mg4 K1 Mg3 74.15(4) 9_556 .
Mg4 K1 Mg3 133.41(6) 8_566 .
Mg4 K1 Mg3 132.55(6) 7_666 .
Mg3 K1 Mg3 87.28(6) 3_565 .
Sn3 K1 Mg3 46.91(5) 2_665 2_665
Sn3 K1 Mg3 103.49(7) 3_565 2_665
Sn3 K1 Mg3 45.65(5) . 2_665
Sn2 K1 Mg3 178.36(7) 8_566 2_665
Sn2 K1 Mg3 93.92(4) 7_666 2_665
Sn2 K1 Mg3 93.91(4) 9_556 2_665
Mg4 K1 Mg3 133.41(6) 9_556 2_665
Mg4 K1 Mg3 132.55(6) 8_566 2_665
Mg4 K1 Mg3 74.15(4) 7_666 2_665
Mg3 K1 Mg3 87.28(6) 3_565 2_665
Mg3 K1 Mg3 87.28(6) . 2_665
Sn2 K2 Sn2 134.096(5) 11_657 .
Sn2 K2 Sn2 77.492(15) 11_657 2_655
Sn2 K2 Sn2 84.976(11) . 2_655
Sn2 K2 Sn2 84.976(11) 11_657 12_667
Sn2 K2 Sn2 134.096(5) . 12_667
Sn2 K2 Sn2 134.096(5) 2_655 12_667
Sn2 K2 Sn2 84.976(11) 11_657 10_557
Sn2 K2 Sn2 77.492(15) . 10_557
Sn2 K2 Sn2 134.096(5) 2_655 10_557
Sn2 K2 Sn2 84.976(11) 12_667 10_557
Sn2 K2 Sn2 134.096(5) 11_657 3_665
Sn2 K2 Sn2 84.976(11) . 3_665
Sn2 K2 Sn2 84.976(11) 2_655 3_665
Sn2 K2 Sn2 77.492(15) 12_667 3_665
Sn2 K2 Sn2 134.096(5) 10_557 3_665
Sn2 K2 Mg4 94.02(3) 11_657 2_655
Sn2 K2 Mg4 46.10(3) . 2_655
Sn2 K2 Mg4 46.97(3) 2_655 2_655
Sn2 K2 Mg4 178.15(3) 12_667 2_655
Sn2 K2 Mg4 93.39(3) 10_557 2_655
Sn2 K2 Mg4 104.30(3) 3_665 2_655
Sn2 K2 Mg4 46.10(3) 11_657 12_667
Sn2 K2 Mg4 178.15(3) . 12_667
Sn2 K2 Mg4 93.39(3) 2_655 12_667
Sn2 K2 Mg4 46.97(3) 12_667 12_667
Sn2 K2 Mg4 104.30(3) 10_557 12_667
Sn2 K2 Mg4 94.02(3) 3_665 12_667
Mg4 K2 Mg4 132.90(2) 2_655 12_667
Sn2 K2 Mg4 46.97(3) 11_657 11_657
Sn2 K2 Mg4 93.39(3) . 11_657
Sn2 K2 Mg4 94.02(3) 2_655 11_657
Sn2 K2 Mg4 104.30(3) 12_667 11_657
Sn2 K2 Mg4 46.10(3) 10_557 11_657
Sn2 K2 Mg4 178.15(3) 3_665 11_657
Mg4 K2 Mg4 73.90(7) 2_655 11_657
Mg4 K2 Mg4 87.59(5) 12_667 11_657
Sn2 K2 Mg4 93.39(3) 11_657 3_665
Sn2 K2 Mg4 104.30(3) . 3_665
Sn2 K2 Mg4 46.10(3) 2_655 3_665
Sn2 K2 Mg4 94.02(3) 12_667 3_665
Sn2 K2 Mg4 178.15(3) 10_557 3_665
Sn2 K2 Mg4 46.97(3) 3_665 3_665
Mg4 K2 Mg4 87.59(5) 2_655 3_665
Mg4 K2 Mg4 73.90(7) 12_667 3_665
Mg4 K2 Mg4 132.90(2) 11_657 3_665
Sn2 K2 Mg4 178.15(3) 11_657 .
Sn2 K2 Mg4 46.97(3) . .
Sn2 K2 Mg4 104.30(3) 2_655 .
Sn2 K2 Mg4 93.39(3) 12_667 .
Sn2 K2 Mg4 94.02(3) 10_557 .
Sn2 K2 Mg4 46.10(3) 3_665 .
Mg4 K2 Mg4 87.59(5) 2_655 .
Mg4 K2 Mg4 132.90(2) 12_667 .
Mg4 K2 Mg4 132.90(2) 11_657 .
Mg4 K2 Mg4 87.59(5) 3_665 .
Sn2 K2 Mg4 104.30(3) 11_657 10_557
Sn2 K2 Mg4 94.02(3) . 10_557
Sn2 K2 Mg4 178.15(3) 2_655 10_557
Sn2 K2 Mg4 46.10(3) 12_667 10_557
Sn2 K2 Mg4 46.97(3) 10_557 10_557
Sn2 K2 Mg4 93.39(3) 3_665 10_557
Mg4 K2 Mg4 132.90(2) 2_655 10_557
Mg4 K2 Mg4 87.59(5) 12_667 10_557
Mg4 K2 Mg4 87.59(5) 11_657 10_557
Mg4 K2 Mg4 132.90(2) 3_665 10_557
Mg4 K2 Mg4 73.90(7) . 10_557
Sn1B Mg1 Sn1B 46.1(5) . 10_557
Sn1B Mg1 Sn3 101.82(10) . .
Sn1B Mg1 Sn3 101.82(10) 10_557 .
Sn1B Mg1 Sn2 136.9(2) . 10_557
Sn1B Mg1 Sn2 98.1(2) 10_557 10_557
Sn3 Mg1 Sn2 109.97(8) . 10_557
Sn1B Mg1 Sn2 98.1(2) . .
Sn1B Mg1 Sn2 136.9(2) 10_557 .
Sn3 Mg1 Sn2 109.97(8) . .
Sn2 Mg1 Sn2 97.62(9) 10_557 .
Sn1B Mg1 Sn1A 7.78(17) . .
Sn1B Mg1 Sn1A 53.9(4) 10_557 .
Sn3 Mg1 Sn1A 101.02(9) . .
Sn2 Mg1 Sn1A 142.36(13) 10_557 .
Sn2 Mg1 Sn1A 91.16(10) . .
Sn1B Mg1 Sn1A 53.9(4) . 10_557
Sn1B Mg1 Sn1A 7.78(17) 10_557 10_557
Sn3 Mg1 Sn1A 101.02(9) . 10_557
Sn2 Mg1 Sn1A 91.16(10) 10_557 10_557
Sn2 Mg1 Sn1A 142.36(13) . 10_557
Sn1A Mg1 Sn1A 61.7(2) . 10_557
Sn1B Mg1 Mg3 105.26(11) . 3
Sn1B Mg1 Mg3 105.26(11) 10_557 3
Sn3 Mg1 Mg3 150.51(13) . 3
Sn2 Mg1 Mg3 54.94(6) 10_557 3
Sn2 Mg1 Mg3 54.94(6) . 3
Sn1A Mg1 Mg3 104.22(10) . 3
Sn1A Mg1 Mg3 104.22(10) 10_557 3
Sn1B Mg1 Sn1C 15.4(3) . .
Sn1B Mg1 Sn1C 61.5(6) 10_557 .
Sn3 Mg1 Sn1C 100.04(10) . .
Sn2 Mg1 Sn1C 147.0(2) 10_557 .
Sn2 Mg1 Sn1C 84.4(3) . .
Sn1A Mg1 Sn1C 7.6(3) . .
Sn1A Mg1 Sn1C 69.3(5) 10_557 .
Mg3 Mg1 Sn1C 102.94(11) 3 .
Sn1B Mg1 Sn1C 61.5(6) . 10_557
Sn1B Mg1 Sn1C 15.4(3) 10_557 10_557
Sn3 Mg1 Sn1C 100.04(10) . 10_557
Sn2 Mg1 Sn1C 84.4(3) 10_557 10_557
Sn2 Mg1 Sn1C 147.0(2) . 10_557
Sn1A Mg1 Sn1C 69.3(5) . 10_557
Sn1A Mg1 Sn1C 7.6(3) 10_557 10_557
Mg3 Mg1 Sn1C 102.94(11) 3 10_557
Sn1C Mg1 Sn1C 76.9(8) . 10_557
Sn1B Mg1 Mg4 142.5(2) . 10_557
Sn1B Mg1 Mg4 105.1(2) 10_557 10_557
Sn3 Mg1 Mg4 54.94(6) . 10_557
Sn2 Mg1 Mg4 55.10(5) 10_557 10_557
Sn2 Mg1 Mg4 116.81(11) . 10_557
Sn1A Mg1 Mg4 147.13(13) . 10_557
Sn1A Mg1 Mg4 98.21(11) 10_557 10_557
Mg3 Mg1 Mg4 106.00(9) 3 10_557
Sn1C Mg1 Mg4 150.58(18) . 10_557
Sn1C Mg1 Mg4 91.4(4) 10_557 10_557
Sn1B Mg1 Mg4 105.1(2) . .
Sn1B Mg1 Mg4 142.5(2) 10_557 .
Sn3 Mg1 Mg4 54.94(6) . .
Sn2 Mg1 Mg4 116.81(11) 10_557 .
Sn2 Mg1 Mg4 55.10(5) . .
Sn1A Mg1 Mg4 98.21(11) . .
Sn1A Mg1 Mg4 147.13(13) 10_557 .
Mg3 Mg1 Mg4 106.00(9) 3 .
Sn1C Mg1 Mg4 91.4(4) . .
Sn1C Mg1 Mg4 150.58(18) 10_557 .
Mg4 Mg1 Mg4 85.66(11) 10_557 .
Sn1C Mg2 Sn1A 10.5(5) . .
Sn1C Mg2 Sn2 97.85(6) . 2
Sn1A Mg2 Sn2 97.58(6) . 2
Sn1C Mg2 Sn2 120.6(5) . 9_556
Sn1A Mg2 Sn2 129.49(13) . 9_556
Sn2 Mg2 Sn2 111.72(7) 2 9_556
Sn1C Mg2 Sn3 114.3(5) . .
Sn1A Mg2 Sn3 105.04(14) . .
Sn2 Mg2 Sn3 111.60(7) 2 .
Sn2 Mg2 Sn3 101.14(6) 9_556 .
Sn1C Mg2 Sn1B 18.9(4) . .
Sn1A Mg2 Sn1B 8.38(14) . .
Sn2 Mg2 Sn1B 97.19(6) 2 .
Sn2 Mg2 Sn1B 136.2(2) 9_556 .
Sn3 Mg2 Sn1B 97.5(2) . .
Sn1C Mg2 Mg4 106.83(8) . .
Sn1A Mg2 Mg4 106.29(7) . .
Sn2 Mg2 Mg4 155.24(9) 2 .
Sn2 Mg2 Mg4 56.88(5) 9_556 .
Sn3 Mg2 Mg4 56.16(5) . .
Sn1B Mg2 Mg4 105.46(8) . .
Sn1C Mg2 Mg3 118.4(5) . .
Sn1A Mg2 Mg3 109.56(14) . .
Sn2 Mg2 Mg3 55.73(6) 2 .
Sn2 Mg2 Mg3 120.89(8) 9_556 .
Sn3 Mg2 Mg3 55.87(6) . .
Sn1B Mg2 Mg3 102.4(2) . .
Mg4 Mg2 Mg3 108.56(9) . .
Sn1C Mg2 Mg4 125.1(5) . 9_556
Sn1A Mg2 Mg4 133.10(13) . 9_556
Sn2 Mg2 Mg4 55.68(5) 2 9_556
Sn2 Mg2 Mg4 56.04(5) 9_556 9_556
Sn3 Mg2 Mg4 120.03(8) . 9_556
Sn1B Mg2 Mg4 138.92(18) . 9_556
Mg4 Mg2 Mg4 108.96(7) . 9_556
Mg3 Mg2 Mg4 87.35(7) . 9_556
Sn1C Mg2 Mg1 63.8(4) . .
Sn1A Mg2 Mg1 56.75(11) . .
Sn2 Mg2 Mg1 133.58(8) 2 .
Sn2 Mg2 Mg1 114.24(8) 9_556 .
Sn3 Mg2 Mg1 53.14(6) . .
Sn1B Mg2 Mg1 51.66(16) . .
Mg4 Mg2 Mg1 59.90(7) . .
Mg3 Mg2 Mg1 94.11(8) . .
Mg4 Mg2 Mg1 168.64(10) 9_556 .
Sn1C Mg2 Mg2 70.2(4) . 9_556
Sn1A Mg2 Mg2 77.76(10) . 9_556
Sn2 Mg2 Mg2 52.70(5) 2 9_556
Sn2 Mg2 Mg2 88.21(9) 9_556 9_556
Sn3 Mg2 Mg2 164.19(8) . 9_556
Sn1B Mg2 Mg2 83.94(19) . 9_556
Mg4 Mg2 Mg2 138.68(10) . 9_556
Mg3 Mg2 Mg2 108.37(8) . 9_556
Mg4 Mg2 Mg2 55.34(7) 9_556 9_556
Mg1 Mg2 Mg2 134.00(7) . 9_556
Sn1C Mg2 Mg2 70.2(4) . 8_556
Sn1A Mg2 Mg2 77.76(10) . 8_556
Sn2 Mg2 Mg2 135.64(9) 2 8_556
Sn2 Mg2 Mg2 52.37(7) 9_556 8_556
Sn3 Mg2 Mg2 112.18(7) . 8_556
Sn1B Mg2 Mg2 83.94(19) . 8_556
Mg4 Mg2 Mg2 58.33(6) . 8_556
Mg3 Mg2 Mg2 166.81(9) . 8_556
Mg4 Mg2 Mg2 95.48(9) 9_556 8_556
Mg1 Mg2 Mg2 80.64(6) . 8_556
Mg2 Mg2 Mg2 83.64(9) 9_556 8_556
Sn3 Mg3 Sn2 108.73(8) 3_565 2
Sn3 Mg3 Sn2 108.73(8) 3_565 11_557
Sn2 Mg3 Sn2 101.94(10) 2 11_557
Sn3 Mg3 Sn3 112.27(10) 3_565 .
Sn2 Mg3 Sn3 112.31(7) 2 .
Sn2 Mg3 Sn3 112.31(7) 11_557 .
Sn3 Mg3 Mg2 129.75(7) 3_565 .
Sn2 Mg3 Mg2 55.79(5) 2 .
Sn2 Mg3 Mg2 120.91(11) 11_557 .
Sn3 Mg3 Mg2 56.53(6) . .
Sn3 Mg3 Mg2 129.75(7) 3_565 10_557
Sn2 Mg3 Mg2 120.91(11) 2 10_557
Sn2 Mg3 Mg2 55.79(5) 11_557 10_557
Sn3 Mg3 Mg2 56.53(6) . 10_557
Mg2 Mg3 Mg2 87.66(10) . 10_557
Sn3 Mg3 Mg1 152.52(13) 3_565 2
Sn2 Mg3 Mg1 57.67(6) 2 2
Sn2 Mg3 Mg1 57.67(6) 11_557 2
Sn3 Mg3 Mg1 95.21(10) . 2
Mg2 Mg3 Mg1 65.60(7) . 2
Mg2 Mg3 Mg1 65.60(7) 10_557 2
Sn3 Mg3 Mg4 54.62(6) 3_565 12_567
Sn2 Mg3 Mg4 116.98(10) 2 12_567
Sn2 Mg3 Mg4 54.11(5) 11_557 12_567
Sn3 Mg3 Mg4 130.56(7) . 12_567
Mg2 Mg3 Mg4 171.59(11) . 12_567
Mg2 Mg3 Mg4 93.57(5) 10_557 12_567
Mg1 Mg3 Mg4 107.39(9) 2 12_567
Sn3 Mg3 Mg4 54.62(6) 3_565 3_565
Sn2 Mg3 Mg4 54.11(5) 2 3_565
Sn2 Mg3 Mg4 116.98(10) 11_557 3_565
Sn3 Mg3 Mg4 130.56(7) . 3_565
Mg2 Mg3 Mg4 93.57(5) . 3_565
Mg2 Mg3 Mg4 171.59(11) 10_557 3_565
Mg1 Mg3 Mg4 107.39(9) 2 3_565
Mg4 Mg3 Mg4 84.03(10) 12_567 3_565
Sn3 Mg3 K1 63.91(5) 3_565 10_557
Sn2 Mg3 K1 166.05(8) 2 10_557
Sn2 Mg3 K1 91.82(4) 11_557 10_557
Sn3 Mg3 K1 63.37(5) . 10_557
Mg2 Mg3 K1 118.53(10) . 10_557
Mg2 Mg3 K1 68.96(6) 10_557 10_557
Mg1 Mg3 K1 134.17(7) 2 10_557
Mg4 Mg3 K1 69.53(5) 12_567 10_557
Mg4 Mg3 K1 117.33(9) 3_565 10_557
Sn3 Mg3 K1 63.91(5) 3_565 .
Sn2 Mg3 K1 91.82(4) 2 .
Sn2 Mg3 K1 166.05(8) 11_557 .
Sn3 Mg3 K1 63.37(5) . .
Mg2 Mg3 K1 68.96(6) . .
Mg2 Mg3 K1 118.53(10) 10_557 .
Mg1 Mg3 K1 134.17(7) 2 .
Mg4 Mg3 K1 117.33(9) 12_567 .
Mg4 Mg3 K1 69.53(5) 3_565 .
K1 Mg3 K1 74.34(9) 10_557 .
Sn3 Mg3 K2 85.51(7) 3_565 1_455
Sn2 Mg3 K2 59.01(5) 2 1_455
Sn2 Mg3 K2 59.01(5) 11_557 1_455
Sn3 Mg3 K2 162.22(10) . 1_455
Mg2 Mg3 K2 112.53(7) . 1_455
Mg2 Mg3 K2 112.53(7) 10_557 1_455
Mg1 Mg3 K2 67.01(8) 2 1_455
Mg4 Mg3 K2 59.37(6) 12_567 1_455
Mg4 Mg3 K2 59.37(6) 3_565 1_455
K1 Mg3 K2 128.90(6) 10_557 1_455
K1 Mg3 K2 128.90(6) . 1_455
Sn2 Mg4 Sn3 108.12(7) 3_665 .
Sn2 Mg4 Sn2 109.17(7) 3_665 9_556
Sn3 Mg4 Sn2 102.60(7) . 9_556
Sn2 Mg4 Sn2 113.52(7) 3_665 .
Sn3 Mg4 Sn2 111.88(7) . .
Sn2 Mg4 Sn2 110.95(7) 9_556 .
Sn2 Mg4 Mg2 151.33(9) 3_665 .
Sn3 Mg4 Mg2 57.86(6) . .
Sn2 Mg4 Mg2 57.00(5) 9_556 .
Sn2 Mg4 Mg2 95.15(7) . .
Sn2 Mg4 Mg2 129.91(8) 3_665 8_556
Sn3 Mg4 Mg2 121.41(8) . 8_556
Sn2 Mg4 Mg2 55.42(5) 9_556 8_556
Sn2 Mg4 Mg2 55.53(5) . 8_556
Mg2 Mg4 Mg2 66.33(8) . 8_556
Sn2 Mg4 Mg1 131.77(9) 3_665 .
Sn3 Mg4 Mg1 55.10(6) . .
Sn2 Mg4 Mg1 118.35(8) 9_556 .
Sn2 Mg4 Mg1 56.85(6) . .
Mg2 Mg4 Mg1 64.10(8) . .
Mg2 Mg4 Mg1 86.40(7) 8_556 .
Sn2 Mg4 Mg4 55.00(6) 3_665 7_666
Sn3 Mg4 Mg4 117.14(10) . 7_666
Sn2 Mg4 Mg4 54.18(6) 9_556 7_666
Sn2 Mg4 Mg4 130.74(11) . 7_666
Mg2 Mg4 Mg4 106.32(10) . 7_666
Mg2 Mg4 Mg4 93.36(9) 8_556 7_666
Mg1 Mg4 Mg4 169.61(12) . 7_666
Sn2 Mg4 Mg3 54.62(6) 3_665 2_665
Sn3 Mg4 Mg3 53.50(6) . 2_665
Sn2 Mg4 Mg3 117.65(8) 9_556 2_665
Sn2 Mg4 Mg3 131.14(8) . 2_665
Mg2 Mg4 Mg3 106.58(9) . 2_665
Mg2 Mg4 Mg3 171.78(9) 8_556 2_665
Mg1 Mg4 Mg3 94.20(8) . 2_665
Mg4 Mg4 Mg3 84.57(8) 7_666 2_665
Sn2 Mg4 K2 64.18(4) 3_665 .
Sn3 Mg4 K2 91.72(6) . .
Sn2 Mg4 K2 165.61(7) 9_556 .
Sn2 Mg4 K2 63.81(4) . .
Mg2 Mg4 K2 134.79(8) . .
Mg2 Mg4 K2 117.77(7) 8_556 .
Mg1 Mg4 K2 71.11(7) . .
Mg4 Mg4 K2 117.79(9) 7_666 .
Mg3 Mg4 K2 70.02(6) 2_665 .
Sn2 Mg4 K1 64.24(4) 3_665 7_666
Sn3 Mg4 K1 165.52(8) . 7_666
Sn2 Mg4 K1 91.71(7) 9_556 7_666
Sn2 Mg4 K1 63.86(4) . 7_666
Mg2 Mg4 K1 134.58(8) . 7_666
Mg2 Mg4 K1 68.77(6) 8_556 7_666
Mg1 Mg4 K1 119.59(8) . 7_666
Mg4 Mg4 K1 69.68(7) 7_666 7_666
Mg3 Mg4 K1 117.60(7) 2_665 7_666
K2 Mg4 K1 73.93(5) . 7_666
Sn2 Mg4 K1 85.85(5) 3_665 .
Sn3 Mg4 K1 58.95(5) . .
Sn2 Mg4 K1 59.35(5) 9_556 .
Sn2 Mg4 K1 160.63(7) . .
Mg2 Mg4 K1 65.48(5) . .
Mg2 Mg4 K1 112.45(7) 8_556 .
Mg1 Mg4 K1 110.83(8) . .
Mg4 Mg4 K1 59.72(7) 7_666 .
Mg3 Mg4 K1 59.70(6) 2_665 .
K2 Mg4 K1 129.72(6) . .
K1 Mg4 K1 129.41(6) 7_666 .
Mg2 Sn1A Mg2 113.89(11) 2 .
Mg2 Sn1A Mg2 113.89(11) 2 3
Mg2 Sn1A Mg2 113.89(11) . 3
Mg2 Sn1A Mg1 163.7(2) 2 .
Mg2 Sn1A Mg1 72.23(8) . .
Mg2 Sn1A Mg1 74.49(8) 3 .
Mg2 Sn1A Mg1 74.49(8) 2 3
Mg2 Sn1A Mg1 163.7(2) . 3
Mg2 Sn1A Mg1 72.23(8) 3 3
Mg1 Sn1A Mg1 96.07(15) . 3
Mg2 Sn1A Mg1 72.23(8) 2 2
Mg2 Sn1A Mg1 74.49(8) . 2
Mg2 Sn1A Mg1 163.7(2) 3 2
Mg1 Sn1A Mg1 96.07(15) . 2
Mg1 Sn1A Mg1 96.07(15) 3 2
Mg2 Sn1A Sn1A 104.58(14) 2 10_557
Mg2 Sn1A Sn1A 104.58(14) . 10_557
Mg2 Sn1A Sn1A 104.58(14) 3 10_557
Mg1 Sn1A Sn1A 59.16(11) . 10_557
Mg1 Sn1A Sn1A 59.16(11) 3 10_557
Mg1 Sn1A Sn1A 59.16(11) 2 10_557
Sn1B Sn1B Mg1 66.9(3) 10_557 .
Sn1B Sn1B Mg1 66.9(3) 10_557 3
Mg1 Sn1B Mg1 105.7(3) . 3
Sn1B Sn1B Mg1 66.9(3) 10_557 2
Mg1 Sn1B Mg1 105.7(3) . 2
Mg1 Sn1B Mg1 105.7(3) 3 2
Sn1B Sn1B Mg2 113.0(3) 10_557 2
Mg1 Sn1B Mg2 178.62(10) . 2
Mg1 Sn1B Mg2 75.44(7) 3 2
Mg1 Sn1B Mg2 73.15(7) 2 2
Sn1B Sn1B Mg2 113.0(3) 10_557 .
Mg1 Sn1B Mg2 73.15(7) . .
Mg1 Sn1B Mg2 178.62(10) 3 .
Mg1 Sn1B Mg2 75.44(7) 2 .
Mg2 Sn1B Mg2 105.8(3) 2 .
Sn1B Sn1B Mg2 113.0(3) 10_557 3
Mg1 Sn1B Mg2 75.44(7) . 3
Mg1 Sn1B Mg2 73.15(7) 3 3
Mg1 Sn1B Mg2 178.62(10) 2 3
Mg2 Sn1B Mg2 105.8(3) 2 3
Mg2 Sn1B Mg2 105.8(3) . 3
Sn1C Sn1C Mg2 85.9(6) 7_556 2
Sn1C Sn1C Mg2 85.9(6) 7_556 .
Mg2 Sn1C Mg2 119.50(15) 2 .
Sn1C Sn1C Mg2 85.9(6) 7_556 3
Mg2 Sn1C Mg2 119.50(15) 2 3
Mg2 Sn1C Mg2 119.50(15) . 3
Sn1C Sn1C Mg1 128.5(4) 7_556 .
Mg2 Sn1C Mg1 145.6(10) 2 .
Mg2 Sn1C Mg1 68.7(3) . .
Mg2 Sn1C Mg1 70.8(3) 3 .
Sn1C Sn1C Mg1 128.5(4) 7_556 3
Mg2 Sn1C Mg1 70.8(3) 2 3
Mg2 Sn1C Mg1 145.6(10) . 3
Mg2 Sn1C Mg1 68.7(3) 3 3
Mg1 Sn1C Mg1 85.4(6) . 3
Sn1C Sn1C Mg1 128.5(4) 7_556 2
Mg2 Sn1C Mg1 68.7(3) 2 2
Mg2 Sn1C Mg1 70.8(3) . 2
Mg2 Sn1C Mg1 145.6(10) 3 2
Mg1 Sn1C Mg1 85.4(6) . 2
Mg1 Sn1C Mg1 85.4(6) 3 2
Mg4 Sn2 Mg3 71.27(7) 2_655 3
Mg4 Sn2 Mg2 113.43(6) 2_655 3
Mg3 Sn2 Mg2 68.48(7) 3 3
Mg4 Sn2 Mg4 70.83(7) 2_655 8_556
Mg3 Sn2 Mg4 102.28(6) 3 8_556
Mg2 Sn2 Mg4 68.89(6) 3 8_556
Mg4 Sn2 Mg2 128.95(6) 2_655 8_556
Mg3 Sn2 Mg2 143.27(7) 3 8_556
Mg2 Sn2 Mg2 74.93(8) 3 8_556
Mg4 Sn2 Mg2 66.11(6) 8_556 8_556
Mg4 Sn2 Mg4 126.48(7) 2_655 .
Mg3 Sn2 Mg4 128.83(7) 3 .
Mg2 Sn2 Mg4 120.09(6) 3 .
Mg4 Sn2 Mg4 128.50(4) 8_556 .
Mg2 Sn2 Mg4 68.43(6) 8_556 .
Mg4 Sn2 Mg1 131.20(7) 2_655 .
Mg3 Sn2 Mg1 67.39(8) 3 .
Mg2 Sn2 Mg1 73.79(7) 3 .
Mg4 Sn2 Mg1 142.36(8) 8_556 .
Mg2 Sn2 Mg1 99.83(6) 8_556 .
Mg4 Sn2 Mg1 68.05(7) . .
Mg4 Sn2 K2 69.71(4) 2_655 .
Mg3 Sn2 K2 77.31(6) 3 .
Mg2 Sn2 K2 141.31(5) 3 .
Mg4 Sn2 K2 138.28(4) 8_556 .
Mg2 Sn2 K2 135.30(4) 8_556 .
Mg4 Sn2 K2 69.22(4) . .
Mg1 Sn2 K2 76.84(6) . .
Mg4 Sn2 K1 69.69(5) 2_655 7_666
Mg3 Sn2 K1 138.86(7) 3 7_666
Mg2 Sn2 K1 140.93(6) 3 7_666
Mg4 Sn2 K1 76.61(5) 8_556 7_666
Mg2 Sn2 K1 74.75(5) 8_556 7_666
Mg4 Sn2 K1 69.20(4) . 7_666
Mg1 Sn2 K1 135.63(7) . 7_666
K2 Sn2 K1 77.56(3) . 7_666
Mg3 Sn3 Mg4 71.88(6) 2_665 10_557
Mg3 Sn3 Mg4 71.88(6) 2_665 .
Mg4 Sn3 Mg4 102.57(9) 10_557 .
Mg3 Sn3 Mg1 116.97(9) 2_665 .
Mg4 Sn3 Mg1 69.96(6) 10_557 .
Mg4 Sn3 Mg1 69.96(6) . .
Mg3 Sn3 Mg3 127.73(10) 2_665 .
Mg4 Sn3 Mg3 128.28(4) 10_557 .
Mg4 Sn3 Mg3 128.28(4) . .
Mg1 Sn3 Mg3 115.30(9) . .
Mg3 Sn3 Mg2 129.86(4) 2_665 .
Mg4 Sn3 Mg2 142.24(6) 10_557 .
Mg4 Sn3 Mg2 65.98(6) . .
Mg1 Sn3 Mg2 72.36(6) . .
Mg3 Sn3 Mg2 67.59(5) . .
Mg3 Sn3 Mg2 129.86(4) 2_665 10_557
Mg4 Sn3 Mg2 65.98(6) 10_557 10_557
Mg4 Sn3 Mg2 142.24(6) . 10_557
Mg1 Sn3 Mg2 72.36(6) . 10_557
Mg3 Sn3 Mg2 67.59(5) . 10_557
Mg2 Sn3 Mg2 100.25(8) . 10_557
Mg3 Sn3 K1 70.45(5) 2_665 10_557
Mg4 Sn3 K1 77.27(5) 10_557 10_557
Mg4 Sn3 K1 140.26(5) . 10_557
Mg1 Sn3 K1 140.64(3) . 10_557
Mg3 Sn3 K1 69.72(5) . 10_557
Mg2 Sn3 K1 135.29(5) . 10_557
Mg2 Sn3 K1 74.79(5) 10_557 10_557
Mg3 Sn3 K1 70.45(5) 2_665 .
Mg4 Sn3 K1 140.26(5) 10_557 .
Mg4 Sn3 K1 77.27(5) . .
Mg1 Sn3 K1 140.64(3) . .
Mg3 Sn3 K1 69.72(5) . .
Mg2 Sn3 K1 74.79(5) . .
Mg2 Sn3 K1 135.29(5) 10_557 .
K1 Sn3 K1 78.68(7) 10_557 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 Sn3 3.6452(18) 2_665
K1 Sn3 3.6452(18) 3_565
K1 Sn3 3.6452(18) .
K1 Sn2 3.6704(18) 8_566
K1 Sn2 3.6704(18) 7_666
K1 Sn2 3.6704(18) 9_556
K1 Mg4 3.822(3) 9_556
K1 Mg4 3.822(3) 8_566
K1 Mg4 3.822(3) 7_666
K1 Mg3 3.825(3) 3_565
K1 Mg3 3.825(3) .
K1 Mg3 3.825(3) 2_665
K2 Sn2 3.6670(5) 11_657
K2 Sn2 3.6670(5) .
K2 Sn2 3.6670(5) 2_655
K2 Sn2 3.6670(5) 12_667
K2 Sn2 3.6670(5) 10_557
K2 Sn2 3.6670(5) 3_665
K2 Mg4 3.821(2) 2_655
K2 Mg4 3.821(2) 12_667
K2 Mg4 3.821(2) 11_657
K2 Mg4 3.821(2) 3_665
K2 Mg4 3.821(2) .
K2 Mg4 3.821(2) 10_557
Mg1 Sn1B 2.879(6) .
Mg1 Sn1B 2.879(6) 10_557
Mg1 Sn3 2.949(3) .
Mg1 Sn2 3.050(2) 10_557
Mg1 Sn2 3.050(2) .
Mg1 Sn1A 3.085(5) .
Mg1 Sn1A 3.085(5) 10_557
Mg1 Mg3 3.332(5) 3
Mg1 Sn1C 3.383(19) .
Mg1 Sn1C 3.383(19) 10_557
Mg1 Mg4 3.378(3) 10_557
Mg1 Mg4 3.378(3) .
Mg2 Sn1C 2.782(3) .
Mg2 Sn1A 2.867(3) .
Mg2 Sn2 2.956(2) 2
Mg2 Sn2 2.969(2) 9_556
Mg2 Sn3 3.001(2) .
Mg2 Sn1B 3.014(6) .
Mg2 Mg4 3.237(3) .
Mg2 Mg3 3.326(3) .
Mg2 Mg4 3.350(3) 9_556
Mg2 Mg2 3.604(3) 9_556
Mg2 Mg2 3.604(3) 8_556
Mg3 Sn3 2.902(3) 3_565
Mg3 Sn2 2.954(2) 2
Mg3 Sn2 2.954(2) 11_557
Mg3 Sn3 2.978(3) .
Mg3 Mg2 3.326(3) 10_557
Mg3 Mg1 3.332(5) 2
Mg3 Mg4 3.432(3) 12_567
Mg3 Mg4 3.432(3) 3_565
Mg3 K1 3.825(3) 10_557
Mg3 K2 4.173(3) 1_455
Mg4 Sn2 2.935(2) 3_665
Mg4 Sn3 2.944(2) .
Mg4 Sn2 2.965(2) 9_556
Mg4 Sn2 2.987(2) .
Mg4 Mg2 3.350(3) 8_556
Mg4 Mg4 3.419(4) 7_666
Mg4 Mg3 3.432(3) 2_665
Mg4 K1 3.822(3) 7_666
Sn1A Mg2 2.867(3) 2
Sn1A Mg2 2.867(3) 3
Sn1A Mg1 3.085(5) 3
Sn1A Mg1 3.085(5) 2
Sn1A Sn1A 3.163(14) 10_557
Sn1B Sn1B 2.26(3) 10_557
Sn1B Mg1 2.879(6) 3
Sn1B Mg1 2.879(6) 2
Sn1B Mg2 3.014(6) 2
Sn1B Mg2 3.014(6) 3
Sn1C Sn1C 2.70(6) 7_556
Sn1C Mg2 2.782(3) 2
Sn1C Mg2 2.782(3) 3
Sn1C Mg1 3.383(18) 3
Sn1C Mg1 3.383(18) 2
Sn2 Mg4 2.935(2) 2_655
Sn2 Mg3 2.954(2) 3
Sn2 Mg2 2.956(2) 3
Sn2 Mg4 2.965(2) 8_556
Sn2 Mg2 2.969(2) 8_556
Sn2 K1 3.6704(18) 7_666
Sn3 Mg3 2.902(3) 2_665
Sn3 Mg4 2.944(2) 10_557
Sn3 Mg2 3.001(2) 10_557
Sn3 K1 3.6452(18) 10_557
