#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/05/9000578.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_9000578
loop_
_publ_author_name
'Tani, B. S.'
_publ_section_title
;
 X-ray study of K6LiFe24S26Cl, a djerfisherite-like compound
;
_journal_name_full               'American Mineralogist'
_journal_page_first              819
_journal_page_last               823
_journal_volume                  62
_journal_year                    1977
_chemical_formula_structural     'K6 Li Fe24 S26 Cl'
_chemical_formula_sum            'Cl Fe24 K6 Li S26'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.358
_cell_length_b                   10.358
_cell_length_c                   10.358
_cell_formula_units_Z            1
_cell_volume                     1111.291
_database_code_amcsd             0000589
_exptl_crystal_density_diffrn    3.662
_cod_original_sg_symbol_H-M      'P m 3 m'
_cod_original_formula_sum        'Fe24 K6 Li S26 Cl'
_cod_database_code               9000578
_amcsd_formula_title             K6LiFe24S26Cl
loop_
_space_group_symop_operation_xyz
x,y,z
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x,-y,z
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe 0.36830 0.36830 0.13100 0.02026
K 0.29600 0.00000 0.00000 0.03166
Li 0.50000 0.50000 0.50000 0.01520
S1 0.24700 0.50000 0.00000 0.01267
S2 0.22600 0.22600 0.22600 0.01267
S3 0.25100 0.50000 0.50000 0.02153
Cl 0.00000 0.00000 0.00000 0.01520
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000589
