#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/31/1533192.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_1533192
loop_
_publ_author_name
'Fukuoka, H.'
'Miyaki, Y.'
'Yamanaka, S.'
_publ_section_title
;
 High-pressure synthesis and structures of novel chromium sulfides, Ba3 Cr
 S5 and Ba3 Cr2 S6 with one-dimensional chain structures
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              206
_journal_page_last               212
_journal_volume                  176
_journal_year                    2003
_chemical_formula_sum            'Ba3 Cr S5'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.1208
_cell_length_b                   9.1208
_cell_length_c                   6.193
_cell_volume                     446.167
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fukuoka_JSSCBI_2003_230.cif
_cod_data_source_block           Ba3Cr1S5
_cod_original_cell_volume        446.1671
_cod_original_formula_sum        'Ba3 Cr1 S5'
_cod_database_code               1533192
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z
-x+y,y,z+1/2
-x,-x+y,z
-y,-x,z+1/2
x-y,-y,z
x,x-y,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
S1 S-2 0.6667 0.3333 0.039 1 0.0
Cr1 Cr+4 0 0 0.103 1 0.0
Ba1 Ba+2 0.384 0 0.844 1 0.0
S2 S-2 0 0.7878 0.856 1 0.0
