#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/79/2207920.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_2207920
loop_
_publ_author_name
'Xia, Sheng-Qing'
'Bobev, Svilen'
_publ_section_title
;
 YbMn₆Sn₆
;
_journal_coeditor_code           WM6118
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i7
_journal_page_last               i9
_journal_paper_doi               10.1107/S1600536805040006
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'Yb Mn6 Sn6'
_chemical_formula_structural     'Yb Mn6 Sn6'
_chemical_formula_sum            'Mn6 Sn6 Yb'
_chemical_formula_weight         1214.82
_chemical_name_systematic
;
Ytterbium hexamanganese hexastannide
;
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   5.5117(13)
_cell_length_b                   5.5117(13)
_cell_length_c                   8.989(4)
_cell_measurement_reflns_used    1336
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.04
_cell_measurement_theta_min      2.27
_cell_volume                     236.49(13)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'XP in SHELXTL'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXTL (Sheldrick, 2001)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2001)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       ω
_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  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0145
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1336
_diffrn_reflns_theta_full        27.04
_diffrn_reflns_theta_max         27.04
_diffrn_reflns_theta_min         2.27
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    32.932
_exptl_absorpt_correction_T_max  0.268
_exptl_absorpt_correction_T_min  0.142
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    8.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.177
_refine_diff_density_min         -1.486
_refine_ls_extinction_coef       0.021(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXTL (Sheldrick, 2001)'
_refine_ls_goodness_of_fit_ref   1.507
_refine_ls_matrix_type           full
_refine_ls_number_parameters     16
_refine_ls_number_reflns         144
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.507
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+22.0394P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0868
_refine_ls_wR_factor_ref         0.0914
_reflns_number_gt                99
_reflns_number_total             144
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            wm6118.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        236.49(14)
_cod_database_code               2207920
_cod_database_fobs_code          2207920
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z'
'y, -x+y, z'
'x-y, x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Yb1A 0.0000 0.0000 0.0000 0.0097(11) Uani d SP 0.50 Yb
Yb1B 0.0000 0.0000 0.5000 0.0097(11) Uani d SP 0.50 Yb
Sn1 0.3333 0.6667 0.5000 0.0074(10) Uani d S 1 Sn
Sn2 0.3333 0.6667 0.0000 0.0091(10) Uani d S 1 Sn
Mn1 0.5000 0.0000 0.2491(5) 0.0075(10) Uani d S 1 Mn
Sn3A 0.0000 0.0000 0.3352(8) 0.0080(11) Uani d SP 0.50 Sn
Sn3B 0.0000 0.0000 0.1638(8) 0.0080(11) Uani d SP 0.50 Sn
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mn Mn 0.3368 0.7283 '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'
Yb Yb -0.3850 5.5486 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
Sn3B Yb1A Sn3B . 13 180.0
Sn3B Yb1A Sn3A . . 0.0
Sn3B Yb1A Sn3A 13 . 180.0
Sn3B Yb1A Sn3A . 13 180.0
Sn3B Yb1A Sn3A 13 13 0.0
Sn3A Yb1A Sn3A . 13 180.0
Sn3B Yb1A Sn2 . 13_665 90.0
Sn3B Yb1A Sn2 13 13_665 90.0
Sn3A Yb1A Sn2 . 13_665 90.0
Sn3A Yb1A Sn2 13 13_665 90.0
Sn3B Yb1A Sn2 . 1_445 90.0
Sn3B Yb1A Sn2 13 1_445 90.0
Sn3A Yb1A Sn2 . 1_445 90.0
Sn3A Yb1A Sn2 13 1_445 90.0
Sn2 Yb1A Sn2 13_665 1_445 180.0
Sn3B Yb1A Sn2 . 13 90.0
Sn3B Yb1A Sn2 13 13 90.0
Sn3A Yb1A Sn2 . 13 90.0
Sn3A Yb1A Sn2 13 13 90.0
Sn2 Yb1A Sn2 13_665 13 120.0
Sn2 Yb1A Sn2 1_445 13 60.0
Sn3B Yb1A Sn2 . . 90.0
Sn3B Yb1A Sn2 13 . 90.0
Sn3A Yb1A Sn2 . . 90.0
Sn3A Yb1A Sn2 13 . 90.0
Sn2 Yb1A Sn2 13_665 . 60.0
Sn2 Yb1A Sn2 1_445 . 120.0
Sn2 Yb1A Sn2 13 . 180.0
Sn3B Yb1A Sn2 . 13_565 90.0
Sn3B Yb1A Sn2 13 13_565 90.0
Sn3A Yb1A Sn2 . 13_565 90.0
Sn3A Yb1A Sn2 13 13_565 90.0
Sn2 Yb1A Sn2 13_665 13_565 120.0
Sn2 Yb1A Sn2 1_445 13_565 60.0
Sn2 Yb1A Sn2 13 13_565 120.0
Sn2 Yb1A Sn2 . 13_565 60.0
Sn3B Yb1A Sn2 . 1_545 90.0
Sn3B Yb1A Sn2 13 1_545 90.0
Sn3A Yb1A Sn2 . 1_545 90.0
Sn3A Yb1A Sn2 13 1_545 90.0
Sn2 Yb1A Sn2 13_665 1_545 60.0
Sn2 Yb1A Sn2 1_445 1_545 120.0
Sn2 Yb1A Sn2 13 1_545 60.0
Sn2 Yb1A Sn2 . 1_545 120.0
Sn2 Yb1A Sn2 13_565 1_545 180.0
Sn3B Yb1A Mn1 . 15_445 129.10(6)
Sn3B Yb1A Mn1 13 15_445 50.90(6)
Sn3A Yb1A Mn1 . 15_445 129.10(6)
Sn3A Yb1A Mn1 13 15_445 50.90(6)
Sn2 Yb1A Mn1 13_665 15_445 132.23(4)
Sn2 Yb1A Mn1 1_445 15_445 47.77(4)
Sn2 Yb1A Mn1 13 15_445 47.77(4)
Sn2 Yb1A Mn1 . 15_445 132.23(4)
Sn2 Yb1A Mn1 13_565 15_445 90.0
Sn2 Yb1A Mn1 1_545 15_445 90.0
Sn3B Yb1A Mn1 . 3_665 50.90(6)
Sn3B Yb1A Mn1 13 3_665 129.10(6)
Sn3A Yb1A Mn1 . 3_665 50.90(6)
Sn3A Yb1A Mn1 13 3_665 129.10(6)
Sn2 Yb1A Mn1 13_665 3_665 47.77(4)
Sn2 Yb1A Mn1 1_445 3_665 132.23(4)
Sn2 Yb1A Mn1 13 3_665 132.23(4)
Sn2 Yb1A Mn1 . 3_665 47.77(4)
Sn2 Yb1A Mn1 13_565 3_665 90.0
Sn2 Yb1A Mn1 1_545 3_665 90.0
Mn1 Yb1A Mn1 15_445 3_665 180.0
Sn3A Yb1B Sn3A 13_556 . 180.0000(10)
Sn3A Yb1B Sn3B 13_556 13_556 0.0000(10)
Sn3A Yb1B Sn3B . 13_556 180.0000(10)
Sn3A Yb1B Sn3B 13_556 . 180.0000(10)
Sn3A Yb1B Sn3B . . 0.0000(10)
Sn3B Yb1B Sn3B 13_556 . 180.0
Sn3A Yb1B Sn1 13_556 13_666 90.0000(10)
Sn3A Yb1B Sn1 . 13_666 90.0000(10)
Sn3B Yb1B Sn1 13_556 13_666 90.0
Sn3B Yb1B Sn1 . 13_666 90.0
Sn3A Yb1B Sn1 13_556 1_445 90.0000(10)
Sn3A Yb1B Sn1 . 1_445 90.0000(10)
Sn3B Yb1B Sn1 13_556 1_445 90.0
Sn3B Yb1B Sn1 . 1_445 90.0
Sn1 Yb1B Sn1 13_666 1_445 180.0
Sn3A Yb1B Sn1 13_556 13_556 90.0000(10)
Sn3A Yb1B Sn1 . 13_556 90.0000(10)
Sn3B Yb1B Sn1 13_556 13_556 90.0
Sn3B Yb1B Sn1 . 13_556 90.0
Sn1 Yb1B Sn1 13_666 13_556 120.0
Sn1 Yb1B Sn1 1_445 13_556 60.0
Sn3A Yb1B Sn1 13_556 . 90.0000(10)
Sn3A Yb1B Sn1 . . 90.0000(10)
Sn3B Yb1B Sn1 13_556 . 90.0
Sn3B Yb1B Sn1 . . 90.0
Sn1 Yb1B Sn1 13_666 . 60.0
Sn1 Yb1B Sn1 1_445 . 120.0
Sn1 Yb1B Sn1 13_556 . 180.0
Sn3A Yb1B Sn1 13_556 13_566 90.0
Sn3A Yb1B Sn1 . 13_566 90.0
Sn3B Yb1B Sn1 13_556 13_566 90.0
Sn3B Yb1B Sn1 . 13_566 90.0
Sn1 Yb1B Sn1 13_666 13_566 120.0
Sn1 Yb1B Sn1 1_445 13_566 60.0
Sn1 Yb1B Sn1 13_556 13_566 120.0
Sn1 Yb1B Sn1 . 13_566 60.0
Sn3A Yb1B Sn1 13_556 1_545 90.0
Sn3A Yb1B Sn1 . 1_545 90.0
Sn3B Yb1B Sn1 13_556 1_545 90.0
Sn3B Yb1B Sn1 . 1_545 90.0
Sn1 Yb1B Sn1 13_666 1_545 60.0
Sn1 Yb1B Sn1 1_445 1_545 120.0
Sn1 Yb1B Sn1 13_556 1_545 60.0
Sn1 Yb1B Sn1 . 1_545 120.0
Sn1 Yb1B Sn1 13_566 1_545 180.0
Sn3A Yb1B Mn1 13_556 15_556 50.71(6)
Sn3A Yb1B Mn1 . 15_556 129.29(6)
Sn3B Yb1B Mn1 13_556 15_556 50.71(6)
Sn3B Yb1B Mn1 . 15_556 129.29(6)
Sn1 Yb1B Mn1 13_666 15_556 47.91(4)
Sn1 Yb1B Mn1 1_445 15_556 132.09(4)
Sn1 Yb1B Mn1 13_556 15_556 132.09(4)
Sn1 Yb1B Mn1 . 15_556 47.91(5)
Sn1 Yb1B Mn1 13_566 15_556 90.0
Sn1 Yb1B Mn1 1_545 15_556 90.0
Sn3A Yb1B Mn1 13_556 3 129.29(6)
Sn3A Yb1B Mn1 . 3 50.71(6)
Sn3B Yb1B Mn1 13_556 3 129.29(6)
Sn3B Yb1B Mn1 . 3 50.71(6)
Sn1 Yb1B Mn1 13_666 3 132.09(4)
Sn1 Yb1B Mn1 1_445 3 47.91(4)
Sn1 Yb1B Mn1 13_556 3 47.91(4)
Sn1 Yb1B Mn1 . 3 132.09(5)
Sn1 Yb1B Mn1 13_566 3 90.0
Sn1 Yb1B Mn1 1_545 3 90.0
Mn1 Yb1B Mn1 15_556 3 180.0
Mn1 Sn1 Mn1 2 13_666 146.49(5)
Mn1 Sn1 Mn1 2 14_566 109.59(12)
Mn1 Sn1 Mn1 13_666 14_566 59.91(10)
Mn1 Sn1 Mn1 2 1_565 59.91(10)
Mn1 Sn1 Mn1 13_666 1_565 109.59(12)
Mn1 Sn1 Mn1 14_566 1_565 146.49(5)
Mn1 Sn1 Mn1 2 15_556 146.49(5)
Mn1 Sn1 Mn1 13_666 15_556 59.91(10)
Mn1 Sn1 Mn1 14_566 15_556 59.91(10)
Mn1 Sn1 Mn1 1_565 15_556 146.49(5)
Mn1 Sn1 Mn1 2 3_665 59.91(10)
Mn1 Sn1 Mn1 13_666 3_665 146.49(5)
Mn1 Sn1 Mn1 14_566 3_665 146.49(5)
Mn1 Sn1 Mn1 1_565 3_665 59.91(10)
Mn1 Sn1 Mn1 15_556 3_665 109.59(12)
Mn1 Sn1 Sn1 2 13_666 106.75(2)
Mn1 Sn1 Sn1 13_666 13_666 106.75(2)
Mn1 Sn1 Sn1 14_566 13_666 106.75(2)
Mn1 Sn1 Sn1 1_565 13_666 106.75(2)
Mn1 Sn1 Sn1 15_556 13_666 54.79(6)
Mn1 Sn1 Sn1 3_665 13_666 54.79(6)
Mn1 Sn1 Yb1B 2 1_565 73.25(2)
Mn1 Sn1 Yb1B 13_666 1_565 73.25(2)
Mn1 Sn1 Yb1B 14_566 1_565 73.25(2)
Mn1 Sn1 Yb1B 1_565 1_565 73.25(2)
Mn1 Sn1 Yb1B 15_556 1_565 125.21(6)
Mn1 Sn1 Yb1B 3_665 1_565 125.21(6)
Sn1 Sn1 Yb1B 13_666 1_565 180.0
Mn1 Sn1 Yb1B 2 1_665 125.21(6)
Mn1 Sn1 Yb1B 13_666 1_665 73.25(3)
Mn1 Sn1 Yb1B 14_566 1_665 125.21(6)
Mn1 Sn1 Yb1B 1_565 1_665 73.25(3)
Mn1 Sn1 Yb1B 15_556 1_665 73.25(3)
Mn1 Sn1 Yb1B 3_665 1_665 73.25(3)
Sn1 Sn1 Yb1B 13_666 1_665 60.0
Yb1B Sn1 Yb1B 1_565 1_665 120.0
Mn1 Sn1 Yb1B 2 . 73.25(3)
Mn1 Sn1 Yb1B 13_666 . 125.21(6)
Mn1 Sn1 Yb1B 14_566 . 73.25(2)
Mn1 Sn1 Yb1B 1_565 . 125.21(6)
Mn1 Sn1 Yb1B 15_556 . 73.25(3)
Mn1 Sn1 Yb1B 3_665 . 73.25(3)
Sn1 Sn1 Yb1B 13_666 . 60.0
Yb1B Sn1 Yb1B 1_565 . 120.0
Yb1B Sn1 Yb1B 1_665 . 120.0
Mn1 Sn1 Sn1 2 13_566 54.79(6)
Mn1 Sn1 Sn1 13_666 13_566 106.75(3)
Mn1 Sn1 Sn1 14_566 13_566 54.79(6)
Mn1 Sn1 Sn1 1_565 13_566 106.75(3)
Mn1 Sn1 Sn1 15_556 13_566 106.75(3)
Mn1 Sn1 Sn1 3_665 13_566 106.75(3)
Sn1 Sn1 Sn1 13_666 13_566 120.0
Yb1B Sn1 Sn1 1_565 13_566 60.0
Yb1B Sn1 Sn1 1_665 13_566 180.0
Yb1B Sn1 Sn1 . 13_566 60.0
Mn1 Sn1 Sn1 2 13_676 106.75(3)
Mn1 Sn1 Sn1 13_666 13_676 54.79(6)
Mn1 Sn1 Sn1 14_566 13_676 106.75(3)
Mn1 Sn1 Sn1 1_565 13_676 54.79(6)
Mn1 Sn1 Sn1 15_556 13_676 106.75(3)
Mn1 Sn1 Sn1 3_665 13_676 106.75(2)
Sn1 Sn1 Sn1 13_666 13_676 120.0
Yb1B Sn1 Sn1 1_565 13_676 60.0
Yb1B Sn1 Sn1 1_665 13_676 60.0
Yb1B Sn1 Sn1 . 13_676 180.0
Sn1 Sn1 Sn1 13_566 13_676 120.0
Mn1 Sn2 Mn1 14_565 1_565 146.33(5)
Mn1 Sn2 Mn1 14_565 2 109.21(12)
Mn1 Sn2 Mn1 1_565 2 60.21(10)
Mn1 Sn2 Mn1 14_565 13_665 60.21(10)
Mn1 Sn2 Mn1 1_565 13_665 109.21(12)
Mn1 Sn2 Mn1 2 13_665 146.33(5)
Mn1 Sn2 Mn1 14_565 15 60.21(10)
Mn1 Sn2 Mn1 1_565 15 146.33(5)
Mn1 Sn2 Mn1 2 15 146.33(5)
Mn1 Sn2 Mn1 13_665 15 60.21(10)
Mn1 Sn2 Mn1 14_565 3_665 146.33(5)
Mn1 Sn2 Mn1 1_565 3_665 60.21(10)
Mn1 Sn2 Mn1 2 3_665 60.21(10)
Mn1 Sn2 Mn1 13_665 3_665 146.33(5)
Mn1 Sn2 Mn1 15 3_665 109.21(12)
Mn1 Sn2 Sn2 14_565 13_665 106.83(2)
Mn1 Sn2 Sn2 1_565 13_665 106.83(3)
Mn1 Sn2 Sn2 2 13_665 106.83(3)
Mn1 Sn2 Sn2 13_665 13_665 106.83(3)
Mn1 Sn2 Sn2 15 13_665 54.61(6)
Mn1 Sn2 Sn2 3_665 13_665 54.61(6)
Mn1 Sn2 Yb1A 14_565 1_565 73.17(2)
Mn1 Sn2 Yb1A 1_565 1_565 73.17(2)
Mn1 Sn2 Yb1A 2 1_565 73.17(3)
Mn1 Sn2 Yb1A 13_665 1_565 73.17(3)
Mn1 Sn2 Yb1A 15 1_565 125.39(6)
Mn1 Sn2 Yb1A 3_665 1_565 125.39(6)
Sn2 Sn2 Yb1A 13_665 1_565 180.0
Mn1 Sn2 Yb1A 14_565 . 73.17(3)
Mn1 Sn2 Yb1A 1_565 . 125.39(6)
Mn1 Sn2 Yb1A 2 . 73.17(3)
Mn1 Sn2 Yb1A 13_665 . 125.39(6)
Mn1 Sn2 Yb1A 15 . 73.17(3)
Mn1 Sn2 Yb1A 3_665 . 73.17(2)
Sn2 Sn2 Yb1A 13_665 . 60.0
Yb1A Sn2 Yb1A 1_565 . 120.0
Mn1 Sn2 Yb1A 14_565 1_665 125.39(6)
Mn1 Sn2 Yb1A 1_565 1_665 73.17(3)
Mn1 Sn2 Yb1A 2 1_665 125.39(6)
Mn1 Sn2 Yb1A 13_665 1_665 73.17(3)
Mn1 Sn2 Yb1A 15 1_665 73.17(3)
Mn1 Sn2 Yb1A 3_665 1_665 73.17(3)
Sn2 Sn2 Yb1A 13_665 1_665 60.0
Yb1A Sn2 Yb1A 1_565 1_665 120.0
Yb1A Sn2 Yb1A . 1_665 120.0
Mn1 Sn2 Sn2 14_565 13_565 54.61(6)
Mn1 Sn2 Sn2 1_565 13_565 106.83(3)
Mn1 Sn2 Sn2 2 13_565 54.61(6)
Mn1 Sn2 Sn2 13_665 13_565 106.83(3)
Mn1 Sn2 Sn2 15 13_565 106.83(3)
Mn1 Sn2 Sn2 3_665 13_565 106.83(3)
Sn2 Sn2 Sn2 13_665 13_565 120.0
Yb1A Sn2 Sn2 1_565 13_565 60.0
Yb1A Sn2 Sn2 . 13_565 60.0
Yb1A Sn2 Sn2 1_665 13_565 180.0
Mn1 Sn2 Sn2 14_565 13_675 106.83(2)
Mn1 Sn2 Sn2 1_565 13_675 54.61(6)
Mn1 Sn2 Sn2 2 13_675 106.83(3)
Mn1 Sn2 Sn2 13_665 13_675 54.61(6)
Mn1 Sn2 Sn2 15 13_675 106.83(2)
Mn1 Sn2 Sn2 3_665 13_675 106.83(3)
Sn2 Sn2 Sn2 13_665 13_675 120.0
Yb1A Sn2 Sn2 1_565 13_675 60.0
Yb1A Sn2 Sn2 . 13_675 180.0
Yb1A Sn2 Sn2 1_665 13_675 60.0
Sn2 Sn2 Sn2 13_565 13_675 120.0
Sn2 Mn1 Sn2 1_545 13_665 70.79(12)
Sn2 Mn1 Mn1 1_545 2_655 120.10(5)
Sn2 Mn1 Mn1 13_665 2_655 59.90(5)
Sn2 Mn1 Mn1 1_545 2_545 59.90(5)
Sn2 Mn1 Mn1 13_665 2_545 120.10(5)
Mn1 Mn1 Mn1 2_655 2_545 180.0
Sn2 Mn1 Mn1 1_545 3_665 120.11(5)
Sn2 Mn1 Mn1 13_665 3_665 59.89(5)
Mn1 Mn1 Mn1 2_655 3_665 60.0
Mn1 Mn1 Mn1 2_545 3_665 120.0
Sn2 Mn1 Mn1 1_545 3_655 59.89(5)
Sn2 Mn1 Mn1 13_665 3_655 120.11(5)
Mn1 Mn1 Mn1 2_655 3_655 120.0
Mn1 Mn1 Mn1 2_545 3_655 60.0
Mn1 Mn1 Mn1 3_665 3_655 180.0
Sn2 Mn1 Sn1 1_545 13_666 179.81(11)
Sn2 Mn1 Sn1 13_665 13_666 109.40(3)
Mn1 Mn1 Sn1 2_655 13_666 60.05(5)
Mn1 Mn1 Sn1 2_545 13_666 119.95(5)
Mn1 Mn1 Sn1 3_665 13_666 60.05(5)
Mn1 Mn1 Sn1 3_655 13_666 119.95(5)
Sn2 Mn1 Sn1 1_545 1_545 109.40(3)
Sn2 Mn1 Sn1 13_665 1_545 179.81(11)
Mn1 Mn1 Sn1 2_655 1_545 119.95(5)
Mn1 Mn1 Sn1 2_545 1_545 60.05(5)
Mn1 Mn1 Sn1 3_665 1_545 119.95(5)
Mn1 Mn1 Sn1 3_655 1_545 60.05(5)
Sn1 Mn1 Sn1 13_666 1_545 70.41(12)
Sn2 Mn1 Sn3B 1_545 1_655 77.37(13)
Sn2 Mn1 Sn3B 13_665 1_655 77.37(13)
Mn1 Mn1 Sn3B 2_655 1_655 61.20(2)
Mn1 Mn1 Sn3B 2_545 1_655 118.80(2)
Mn1 Mn1 Sn3B 3_665 1_655 118.80(2)
Mn1 Mn1 Sn3B 3_655 1_655 61.20(2)
Sn1 Mn1 Sn3B 13_666 1_655 102.66(12)
Sn1 Mn1 Sn3B 1_545 1_655 102.66(12)
Sn2 Mn1 Sn3B 1_545 . 77.37(13)
Sn2 Mn1 Sn3B 13_665 . 77.37(13)
Mn1 Mn1 Sn3B 2_655 . 118.80(2)
Mn1 Mn1 Sn3B 2_545 . 61.20(2)
Mn1 Mn1 Sn3B 3_665 . 61.20(2)
Mn1 Mn1 Sn3B 3_655 . 118.80(2)
Sn1 Mn1 Sn3B 13_666 . 102.66(12)
Sn1 Mn1 Sn3B 1_545 . 102.66(12)
Sn3B Mn1 Sn3B 1_655 . 148.9(3)
Sn2 Mn1 Sn3A 1_545 . 102.73(12)
Sn2 Mn1 Sn3A 13_665 . 102.73(12)
Mn1 Mn1 Sn3A 2_655 . 118.78(2)
Mn1 Mn1 Sn3A 2_545 . 61.22(2)
Mn1 Mn1 Sn3A 3_665 . 61.22(2)
Mn1 Mn1 Sn3A 3_655 . 118.78(2)
Sn1 Mn1 Sn3A 13_666 . 77.24(13)
Sn1 Mn1 Sn3A 1_545 . 77.24(13)
Sn3B Mn1 Sn3A 1_655 . 179.9(3)
Sn3B Mn1 Sn3A . . 31.23(16)
Sn2 Mn1 Sn3A 1_545 1_655 102.73(12)
Sn2 Mn1 Sn3A 13_665 1_655 102.73(12)
Mn1 Mn1 Sn3A 2_655 1_655 61.22(2)
Mn1 Mn1 Sn3A 2_545 1_655 118.78(2)
Mn1 Mn1 Sn3A 3_665 1_655 118.78(2)
Mn1 Mn1 Sn3A 3_655 1_655 61.22(2)
Sn1 Mn1 Sn3A 13_666 1_655 77.24(13)
Sn1 Mn1 Sn3A 1_545 1_655 77.24(13)
Sn3B Mn1 Sn3A 1_655 1_655 31.23(16)
Sn3B Mn1 Sn3A . 1_655 179.9(3)
Sn3A Mn1 Sn3A . 1_655 148.6(3)
Yb1B Sn3A Sn3B . . 180.0000(10)
Yb1B Sn3A Mn1 . 3 105.68(15)
Sn3B Sn3A Mn1 . 3 74.32(15)
Yb1B Sn3A Mn1 . 3_665 105.68(15)
Sn3B Sn3A Mn1 . 3_665 74.32(15)
Mn1 Sn3A Mn1 3 3_665 148.6(3)
Yb1B Sn3A Mn1 . . 105.68(15)
Sn3B Sn3A Mn1 . . 74.32(15)
Mn1 Sn3A Mn1 3 . 112.98(13)
Mn1 Sn3A Mn1 3_665 . 57.55(5)
Yb1B Sn3A Mn1 . 1_455 105.68(15)
Sn3B Sn3A Mn1 . 1_455 74.32(15)
Mn1 Sn3A Mn1 3 1_455 57.55(5)
Mn1 Sn3A Mn1 3_665 1_455 112.98(13)
Mn1 Sn3A Mn1 . 1_455 148.6(3)
Yb1B Sn3A Mn1 . 2_545 105.68(15)
Sn3B Sn3A Mn1 . 2_545 74.32(15)
Mn1 Sn3A Mn1 3 2_545 57.55(5)
Mn1 Sn3A Mn1 3_665 2_545 112.98(13)
Mn1 Sn3A Mn1 . 2_545 57.55(5)
Mn1 Sn3A Mn1 1_455 2_545 112.98(13)
Yb1B Sn3A Mn1 . 2 105.68(15)
Sn3B Sn3A Mn1 . 2 74.32(15)
Mn1 Sn3A Mn1 3 2 112.98(13)
Mn1 Sn3A Mn1 3_665 2 57.55(5)
Mn1 Sn3A Mn1 . 2 112.98(13)
Mn1 Sn3A Mn1 1_455 2 57.55(5)
Mn1 Sn3A Mn1 2_545 2 148.6(3)
Yb1B Sn3A Sn3A . 13_556 0.0
Sn3B Sn3A Sn3A . 13_556 180.0000(10)
Mn1 Sn3A Sn3A 3 13_556 105.68(15)
Mn1 Sn3A Sn3A 3_665 13_556 105.68(15)
Mn1 Sn3A Sn3A . 13_556 105.68(15)
Mn1 Sn3A Sn3A 1_455 13_556 105.68(15)
Mn1 Sn3A Sn3A 2_545 13_556 105.68(15)
Mn1 Sn3A Sn3A 2 13_556 105.68(15)
Yb1B Sn3A Yb1A . . 180.0
Sn3B Sn3A Yb1A . . 0.0
Mn1 Sn3A Yb1A 3 . 74.32(15)
Mn1 Sn3A Yb1A 3_665 . 74.32(15)
Mn1 Sn3A Yb1A . . 74.32(15)
Mn1 Sn3A Yb1A 1_455 . 74.32(15)
Mn1 Sn3A Yb1A 2_545 . 74.32(15)
Mn1 Sn3A Yb1A 2 . 74.32(15)
Sn3A Sn3A Yb1A 13_556 . 180.0000(10)
Yb1A Sn3B Sn3A . . 180.0000(10)
Yb1A Sn3B Mn1 . 3_665 105.56(15)
Sn3A Sn3B Mn1 . 3_665 74.44(15)
Yb1A Sn3B Mn1 . 3 105.56(15)
Sn3A Sn3B Mn1 . 3 74.44(15)
Mn1 Sn3B Mn1 3_665 3 148.9(3)
Yb1A Sn3B Mn1 . 2 105.56(15)
Sn3A Sn3B Mn1 . 2 74.44(15)
Mn1 Sn3B Mn1 3_665 2 57.59(5)
Mn1 Sn3B Mn1 3 2 113.09(13)
Yb1A Sn3B Mn1 . 1_455 105.56(15)
Sn3A Sn3B Mn1 . 1_455 74.44(15)
Mn1 Sn3B Mn1 3_665 1_455 113.09(13)
Mn1 Sn3B Mn1 3 1_455 57.59(5)
Mn1 Sn3B Mn1 2 1_455 57.59(5)
Yb1A Sn3B Mn1 . 2_545 105.56(15)
Sn3A Sn3B Mn1 . 2_545 74.44(15)
Mn1 Sn3B Mn1 3_665 2_545 113.09(13)
Mn1 Sn3B Mn1 3 2_545 57.59(5)
Mn1 Sn3B Mn1 2 2_545 148.9(3)
Mn1 Sn3B Mn1 1_455 2_545 113.09(13)
Yb1A Sn3B Mn1 . . 105.56(15)
Sn3A Sn3B Mn1 . . 74.44(15)
Mn1 Sn3B Mn1 3_665 . 57.59(5)
Mn1 Sn3B Mn1 3 . 113.09(13)
Mn1 Sn3B Mn1 2 . 113.09(13)
Mn1 Sn3B Mn1 1_455 . 148.9(3)
Mn1 Sn3B Mn1 2_545 . 57.59(5)
Yb1A Sn3B Sn3B . 13 0.0
Sn3A Sn3B Sn3B . 13 180.0000(10)
Mn1 Sn3B Sn3B 3_665 13 105.56(15)
Mn1 Sn3B Sn3B 3 13 105.56(15)
Mn1 Sn3B Sn3B 2 13 105.56(15)
Mn1 Sn3B Sn3B 1_455 13 105.56(15)
Mn1 Sn3B Sn3B 2_545 13 105.56(15)
Mn1 Sn3B Sn3B . 13 105.56(15)
Yb1A Sn3B Yb1B . . 180.0
Sn3A Sn3B Yb1B . . 0.0000(10)
Mn1 Sn3B Yb1B 3_665 . 74.44(15)
Mn1 Sn3B Yb1B 3 . 74.44(15)
Mn1 Sn3B Yb1B 2 . 74.44(15)
Mn1 Sn3B Yb1B 1_455 . 74.44(15)
Mn1 Sn3B Yb1B 2_545 . 74.44(15)
Mn1 Sn3B Yb1B . . 74.44(15)
Sn3B Sn3B Yb1B 13 . 180.0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Yb1A Sn3B . 1.472(7) ?
Yb1A Sn3B 13 1.472(7) ?
Yb1A Sn3A . 3.013(7) y
Yb1A Sn3A 13 3.013(7) ?
Yb1A Sn2 13_665 3.1822(7) ?
Yb1A Sn2 1_445 3.1822(7) ?
Yb1A Sn2 13 3.1822(7) ?
Yb1A Sn2 . 3.1822(7) y
Yb1A Sn2 13_565 3.1822(7) ?
Yb1A Sn2 1_545 3.1822(7) ?
Yb1A Mn1 15_445 3.551(3) ?
Yb1A Mn1 3_665 3.551(3) ?
Yb1B Sn3A 13_556 1.481(7) ?
Yb1B Sn3A . 1.481(7) ?
Yb1B Sn3B 13_556 3.022(7) ?
Yb1B Sn3B . 3.022(7) y
Yb1B Sn1 13_666 3.1822(7) ?
Yb1B Sn1 1_445 3.1822(7) ?
Yb1B Sn1 13_556 3.1822(7) ?
Yb1B Sn1 . 3.1822(7) y
Yb1B Sn1 13_566 3.1822(7) ?
Yb1B Sn1 1_545 3.1822(7) ?
Yb1B Mn1 15_556 3.561(3) ?
Yb1B Mn1 3 3.561(3) ?
Sn1 Mn1 2 2.760(4) y
Sn1 Mn1 13_666 2.760(4) ?
Sn1 Mn1 14_566 2.760(4) ?
Sn1 Mn1 1_565 2.760(4) ?
Sn1 Mn1 15_556 2.760(4) ?
Sn1 Mn1 3_665 2.760(4) ?
Sn1 Sn1 13_666 3.1822(7) ?
Sn1 Yb1B 1_565 3.1822(7) ?
Sn1 Yb1B 1_665 3.1822(7) ?
Sn1 Sn1 13_566 3.1822(7) ?
Sn1 Sn1 13_676 3.1822(7) ?
Sn2 Mn1 14_565 2.747(4) ?
Sn2 Mn1 1_565 2.747(4) ?
Sn2 Mn1 2 2.747(4) y
Sn2 Mn1 13_665 2.747(4) ?
Sn2 Mn1 15 2.747(4) ?
Sn2 Mn1 3_665 2.747(4) ?
Sn2 Sn2 13_665 3.1822(7) ?
Sn2 Yb1A 1_565 3.1822(8) ?
Sn2 Yb1A 1_665 3.1822(7) ?
Sn2 Sn2 13_565 3.1822(7) ?
Sn2 Sn2 13_675 3.1822(7) ?
Mn1 Sn2 1_545 2.747(4) ?
Mn1 Sn2 13_665 2.747(4) ?
Mn1 Mn1 2_655 2.7559(6) ?
Mn1 Mn1 2_545 2.7559(6) ?
Mn1 Mn1 3_665 2.7559(6) ?
Mn1 Mn1 3_655 2.7558(7) ?
Mn1 Sn1 13_666 2.760(4) ?
Mn1 Sn1 1_545 2.760(4) ?
Mn1 Sn3B 1_655 2.861(2) ?
Mn1 Sn3B . 2.861(2) y
Mn1 Sn3A . 2.862(2) y
Mn1 Sn3A 1_655 2.862(2) ?
Sn3A Sn3B . 1.541(8) ?
Sn3A Mn1 3 2.862(2) ?
Sn3A Mn1 3_665 2.862(2) ?
Sn3A Mn1 1_455 2.862(2) ?
Sn3A Mn1 2_545 2.862(2) ?
Sn3A Mn1 2 2.862(2) ?
Sn3A Sn3A 13_556 2.963(14) ?
Sn3B Mn1 3_665 2.861(2) ?
Sn3B Mn1 3 2.861(2) ?
Sn3B Mn1 2 2.861(2) ?
Sn3B Mn1 1_455 2.861(2) ?
Sn3B Mn1 2_545 2.861(2) ?
Sn3B Sn3B 13 2.945(14) ?
