#------------------------------------------------------------------------------
#$Date: 2023-03-27 09:00:38 +0200 (Mon 27 de Mar de 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/74/9017480.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_9017480
loop_
_publ_author_name
'Amit, A.'
'Horowitz, A.'
'Makovsky, J.'
_publ_section_title
;
 Preparation and crystal structure of KFeCl3 and KFeBr3
;
_journal_name_full               'Israel Journal of Chemistry'
_journal_page_first              827
_journal_page_last               830
_journal_volume                  12
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Br3 Fe K'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.712
_cell_length_b                   3.845
_cell_length_c                   14.15
_cell_volume                     473.992
_database_code_amcsd             0020631
_exptl_crystal_density_diffrn    4.690
_cod_data_source_file            inputs/fixed/downloads/15/15247.cif
_cod_data_source_block           15247
_cod_original_formula_sum        'K Fe Br3'
_cod_database_code               9017480
_amcsd_formula_title             KFeBr3
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K 0.48500 0.25000 0.86700
Fe 0.14700 0.25000 0.06100
Br1 0.27700 0.25000 0.19500
Br2 0.18600 0.25000 0.50800
Br3 0.04100 0.25000 0.88000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020631
