#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/78/7117863.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_7117863
loop_
_publ_author_name
'Crossland, C.J.'
'Evans, J.S.O.'
_publ_section_title
;
 Synthesis and characterisation of a new high pressure polymorph of Cu2 W
 S4
;
_journal_name_full               'Chemical Communications'
_journal_page_first              2292
_journal_page_last               2293
_journal_volume                  2003
_journal_year                    2003
_chemical_formula_sum            'Cu2 S4 W'
_chemical_name_systematic        'Cu2 (W S4)'
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.44427
_cell_length_b                   5.44427
_cell_length_c                   10.0687
_cell_volume                     298.437
_citation_journal_id_ASTM        CHCOFS
_cod_data_source_file            Crossland_CHCOFS_2003_1233.cif
_cod_data_source_block           Cu2S4W1
_cod_original_formula_sum        'Cu2 S4 W1'
_cod_database_code               7117863
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+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
W1 W+6 0 0 0 1 0.0
Cu1 Cu+1 0.5 0 0 1 0.0
S1 S-2 0.2381 0.2381 0.1189 1 0.0
