#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/09/1520944.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_1520944
loop_
_publ_author_name
'Chen, X.-A.'
'Wada, H.'
'Sato, A.'
_publ_section_title
;
 Preparation, crystal structure and electrical properties of Cu4 Sn S6
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              239
_journal_page_last               247
_journal_volume                  34
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu4 S6 Sn'
_chemical_name_mineral           Erazoite
_chemical_name_systematic        'Cu4 Sn S6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.739
_cell_length_b                   3.739
_cell_length_c                   32.941
_cell_volume                     398.821
_citation_journal_id_ASTM        MRBUAC
_database_code_amcsd             0020419
_exptl_crystal_density_diffrn    4.687
_cod_data_source_file            Chen_MRBUAC_1999_513.cif
_cod_data_source_block           Cu4S6Sn1
_cod_original_cell_volume        398.8214
_cod_original_formula_sum        'Cu4 S6 Sn1'
_cod_database_code               1520944
loop_
_space_group_symop_operation_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sn1 Sn+4 0 0 0 0.661 0.0
Cu1 Cu+2 0 0 0.0407 0.326 0.0
Cu2 Cu+2 0 0 0.2204 1 0.0
S2 S-2 0 0 0.4686 1 0.0
S1 S-2 0 0 0.2896 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020419
