#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/39/1523981.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1523981
loop_
_publ_author_name
'Amit, M.'
'Makovsky, J.'
'Horowitz, A.'
_publ_section_title
;
 Preparation and crystal structure of K Fe Cl3 and K Fe Br3
;
_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            'Cl3 Fe K'
_chemical_name_mineral           Javorieite
_chemical_name_systematic        'K Fe Cl3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.712
_cell_length_b                   3.845
_cell_length_c                   14.15
_cell_volume                     473.992
_citation_journal_id_ASTM        ISJCAT
_database_code_amcsd             0020630
_exptl_crystal_density_diffrn    2.821
_cod_data_source_file            Amit_ISJCAT_1974_584.cif
_cod_data_source_block           Cl3Fe1K1
_cod_original_cell_volume        473.9916
_cod_original_formula_sum        'Cl3 Fe1 K1'
_cod_database_code               1523981
loop_
_space_group_symop_operation_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
K1 K+1 0.438 0.25 0.825 1 0.0
Cl3 Cl-1 0.012 0.25 0.904 1 0.0
Fe1 Fe+2 0.171 0.25 0.051 1 0.0
Cl1 Cl-1 0.265 0.25 0.218 1 0.0
Cl2 Cl-1 0.17 0.25 0.496 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020630
