#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/07/9000769.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_9000769
loop_
_publ_author_name
'Clark, J. R.'
'Brown, G. E.'
_publ_section_title
;
 Crystal structure of rasvumite, KFe2S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              477
_journal_page_last               482
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Fe2 K S3'
_chemical_name_mineral           Rasvumite
_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                   9.049
_cell_length_b                   11.019
_cell_length_c                   5.431
_cell_formula_units_Z            4
_cell_volume                     541.530
_database_code_amcsd             0000782
_exptl_crystal_density_diffrn    3.029
_cod_original_formula_sum        'K Fe2 S3'
_cod_database_code               9000769
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
K 0.50000 0.16990 0.25000 0.02951
Fe 0.35020 0.50000 0.00000 0.01494
S1 0.50000 0.61910 0.25000 0.01469
S2 0.21740 0.38590 0.25000 0.02204
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000782
