#------------------------------------------------------------------------------
#$Date: 2024-05-06 08:39:41 +0100 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/97/9009767.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_9009767
loop_
_publ_author_name
'Fjellvag, H.'
'Gronvold, F.'
'Stolen, S.'
'Hauback, B. C.'
_publ_section_title
;
 On the crystallographic and magnetic structures of
 nearly stoichiometric iron monoxide
 Sample: Single-Phase Fe0.925O, T = 298 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              52
_journal_page_last               57
_journal_paper_doi               10.1006/jssc.1996.0206
_journal_volume                  124
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.925 O'
_chemical_name_mineral           Wuestite
_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                   4.3064
_cell_length_b                   4.3064
_cell_length_c                   4.3064
_cell_formula_units_Z            4
_cell_volume                     79.863
_database_code_amcsd             0013894
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    5.627
_cod_original_formula_sum        'Fe.925 O'
_cod_database_code               9009767
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 0.00000 0.00000 0.00000 0.87000
Fe2 0.25000 0.25000 0.25000 0.02750
O 0.50000 0.50000 0.50000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 396260
2 AMCSD 0013894