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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/47/9004708.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_9004708
loop_
_publ_author_name
'Shimizu, M.'
'Yoshida, H.'
'Mandarino, J. A.'
_publ_section_title
;
 The new mineral species keilite, (Fe,Mg)S, the iron-dominant
 analogue of niningerite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1687
_journal_page_last               1692
_journal_paper_doi               10.2113/gscanmin.40.6.1687
_journal_volume                  40
_journal_year                    2002
_chemical_formula_sum
'Ca0.038 Cr0.029 Fe0.558 Mg0.321 Mn0.048 S Ti0.001 Zn0.003'
_chemical_name_mineral           Keilite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.20
_cell_length_b                   5.20
_cell_length_c                   5.20
_cell_formula_units_Z            4
_cell_volume                     140.608
_database_code_amcsd             0005801
_exptl_crystal_density_diffrn    3.635
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum
'Fe.558 Mg.321 Mn.048 Ca.038 Cr.029 Zn.003 Ti.001 S'
_cod_database_code               9004708
loop_
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe 0.00000 0.00000 0.00000 0.55800
Mg 0.00000 0.00000 0.00000 0.32100
Mn 0.00000 0.00000 0.00000 0.04800
Ca 0.00000 0.00000 0.00000 0.03800
Cr 0.00000 0.00000 0.00000 0.02900
Zn 0.00000 0.00000 0.00000 0.00300
Ti 0.00000 0.00000 0.00000 0.00100
S 0.50000 0.50000 0.50000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005801
