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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/62/9016244.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_9016244
loop_
_publ_author_name
'Beattie, J. K.'
'Moore, C. J.'
_publ_section_title
;
 Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II),
 and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances
 in hexachloroferrates(II) and -(III)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1292
_journal_page_last               1295
_journal_paper_doi               10.1021/ic00134a002
_journal_volume                  21
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl6 Fe K3 Na'
_chemical_name_mineral           Rinneite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                92.29
_cell_angle_beta                 92.29
_cell_angle_gamma                92.29
_cell_length_a                   8.3376
_cell_length_b                   8.3376
_cell_length_c                   8.3376
_cell_formula_units_Z            2
_cell_volume                     578.166
_database_code_amcsd             0019749
_exptl_crystal_density_diffrn    2.348
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'K3 Na Fe Cl6'
_cod_database_code               9016244
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2-z,1/2-y
-z,-x,-y
1/2+y,1/2+x,1/2+z
y,z,x
1/2-z,1/2-y,1/2-x
-x,-y,-z
1/2+x,1/2+z,1/2+y
z,x,y
1/2-y,1/2-x,1/2-z
-y,-z,-x
1/2+z,1/2+y,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K 0.12598 0.37402 0.75000
Na 0.25000 0.25000 0.25000
Fe 0.50000 0.50000 0.50000
Cl 0.41962 0.21254 0.54528
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019749
