#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/20/9002026.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_9002026
loop_
_publ_author_name
'Fei, Y.'
'Frost, D. J.'
'Mao, H. K.'
'Prewitt, C. T.'
'Hausermann, D.'
_publ_section_title
;
 In situ structure determination of the high-pressure phase of Fe3O4
 Sample data recorded at P = 23.96 GPa, T = = 823 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              203
_journal_page_last               206
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Fe3O4
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.7992
_cell_length_b                   9.4097
_cell_length_c                   9.4832
_cell_formula_units_Z            4
_cell_volume                     249.784
_database_code_amcsd             0002088
_diffrn_ambient_pressure         2.396e+07
_exptl_crystal_density_diffrn    6.157
_cod_database_code               9002026
_amcsd_formula_title             Fe3O4
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,1/2+y,z
x,1/2-y,-z
x,y,1/2-z
-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe2+ 0.72400 0.37570 0.25000
Fe3+ 0.24600 0.11070 0.08790
O1 0.50600 0.25000 0.00000
O2 0.18000 0.24470 0.25000
O3 0.29600 0.48990 0.09800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 4937312
2 AMCSD 0002088
