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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/34/9013452.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_9013452
loop_
_publ_author_name
'Mitchell, R. H.'
'Ross, K. C.'
'Potter, E. G.'
_publ_section_title
;Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite
 KFe2S3 Note: Rietveld refinement using FULLPROF Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1867
_journal_page_last               1872
_journal_paper_doi               10.1016/j.jssc.2004.01.007
_journal_volume                  177
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_structural     RbFe2S3
_chemical_formula_sum            'Fe2 Rb S3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.2202
_cell_length_b                   11.2429
_cell_length_c                   5.4450
_cell_formula_units_Z            4
_cell_volume                     564.438
_database_code_amcsd             0014043
_exptl_crystal_density_diffrn    3.452
_cod_original_formula_sum        'Rb Fe2 S3'
_cod_database_code               9013452
_amcsd_formula_title             RbFe2S3
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Rb 0.50000 0.16870 0.25000 0.02254
Fe 0.35230 0.50000 0.00000 0.01216
S1 0.50000 0.61510 0.25000 0.01570
S2 0.22560 0.39020 0.25000 0.01570
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014043
