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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/9/00/60/9006081.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_9006081
loop_
_publ_author_name
'Fei, Y.'
'Mao, H. K.'
'Shu, J. F.'
'Hu, J.'
_publ_section_title
;
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 600 deg C, P = 18.73 GPa
 rocksalt structure
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              416
_journal_page_last               422
_journal_volume                  18
_journal_year                    1992
_chemical_formula_sum            'Fe0.4 Mg0.6 O'
_chemical_name_mineral           Magnesiowuestite
_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                   4.1354
_cell_length_b                   4.1354
_cell_length_c                   4.1354
_cell_formula_units_Z            4
_cell_volume                     70.722
_database_code_amcsd             0007663
_diffrn_ambient_pressure         1.873e+07
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    4.970
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Mg.6 Fe.4) O'
_cod_database_code               9006081
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg 0.00000 0.00000 0.00000 0.60000
Fe 0.00000 0.00000 0.00000 0.40000
O 0.50000 0.50000 0.50000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007663
