#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/74/9007438.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9007438
loop_
_publ_author_name
'Jellinek, F.'
_publ_section_title
;
 The structures of the chromium sulphides
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              620
_journal_page_last               628
_journal_paper_doi               10.1107/S0365110X57002200
_journal_volume                  10
_journal_year                    1957
_chemical_formula_structural     Cr7S8
_chemical_formula_sum            'Cr0.875 S'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.464
_cell_length_b                   3.464
_cell_length_c                   5.763
_cell_formula_units_Z            2
_cell_volume                     59.887
_database_code_amcsd             0009197
_exptl_crystal_density_diffrn    4.301
_cod_original_formula_sum        'Cr.875 S'
_cod_database_code               9007438
_amcsd_formula_title             Cr7S8
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,-x+y,-z
-x,-x+y,-z
-x+y,-x,z
-x+y,y,z
-x,-y,-z
y,x,-z
-y,x-y,z
x,x-y,z
x-y,x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr1 0.00000 0.00000 0.00000 1.00000
Cr2 0.00000 0.00000 0.50000 0.75000
S 0.33333 0.66667 0.25000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009197
