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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/74/9007492.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_9007492
loop_
_publ_author_name
'Parthe, E.'
'Hohnke, D.'
'Hulliger, F.'
_publ_section_title
;
 A new structure type with octahedron pairs for Rh2S3,Rh2Se3 and Ir2S3
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              832
_journal_page_last               840
_journal_paper_doi               10.1107/S0365110X67003767
_journal_volume                  23
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Rh2 S3'
_chemical_name_mineral           Bowieite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.462
_cell_length_b                   5.985
_cell_length_c                   6.138
_cell_volume                     310.859
_database_code_amcsd             0009315
_exptl_crystal_density_diffrn    6.453
_cod_database_code               9007492
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Rh 0.10645 0.25170 0.03380 0.00236
S1 0.15180 0.39060 0.39300 0.00214
S2 0.00000 0.95250 0.25000 0.00189