#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526187.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_1526187
loop_
_publ_author_name
'Onoda, M.'
'Chen, X.-A.'
'Sato, A.'
'Wada, H.'
_publ_section_title
;
 Crystal structure and twinning of monoclinic Cu2 Sn S3
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1563
_journal_page_last               1570
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'Cu2 S3 Sn'
_chemical_name_systematic        'Cu2 Sn S3'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.39
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.653
_cell_length_b                   11.537
_cell_length_c                   6.665
_cell_volume                     482.560
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Onoda_MRBUAC_2000_295.cif
_cod_data_source_block           Cu2S3Sn1
_cod_original_cell_volume        482.5602
_cod_original_formula_sum        'Cu2 S3 Sn1'
_cod_database_code               1526187
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+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_occupancy
_atom_site_U_iso_or_equiv
Cu2 Cu+1 -0.0133 0.2563 0.4984 1 0.0
Cu1 Cu+1 -0.0253 0.4125 -0.0181 1 0.0
S3 S-2 0.3545 0.4222 0.1123 1 0.0
S2 S-2 0.3589 0.2379 0.6179 1 0.0
S1 S-2 0.3779 0.0905 0.1185 1 0.0
Sn1 Sn+4 0 0.0898 0 1 0.0
