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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/9/00/26/9002669.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_9002669
loop_
_publ_author_name
'Fjellvag, H.'
'Hauback, B. C.'
'Vogt, T.'
'Stolen, S.'
_publ_section_title
;
 Monoclinic nearly stoichiometric wustite at low temperatures
 Sample: BNL, T = 10 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              347
_journal_page_last               349
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     FeO
_chemical_formula_sum            'Fe0.99 O'
_chemical_name_mineral           Wuestite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.649
_cell_angle_gamma                90
_cell_length_a                   5.2615
_cell_length_b                   3.0334
_cell_length_c                   3.0602
_cell_formula_units_Z            2
_cell_volume                     40.179
_database_code_amcsd             0002758
_diffrn_ambient_temperature      10
_exptl_crystal_density_diffrn    5.892
_cod_original_formula_sum        'Fe.99 O'
_cod_database_code               9002669
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
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 0.99000
O 0.00000 0.50000 0.50000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 396260
2 AMCSD 0002758
