#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/69/9006951.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_9006951
loop_
_publ_author_name
'Andrault, D.'
'Bolfan-Casanova N'
_publ_section_title
;
 High-pressure phase transformations in the MgFe2O4 and Fe2O3-MgSiO3 systems
 Sample refined as a CaMn2O4-type phase at P = 37.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              211
_journal_page_last               217
_journal_paper_doi               10.1007/s002690000149
_journal_volume                  28
_journal_year                    2001
_chemical_formula_structural     MgFe2O4
_chemical_formula_sum            'Fe2 Mg O4'
_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                   2.7392
_cell_length_b                   9.200
_cell_length_c                   9.283
_cell_formula_units_Z            4
_cell_volume                     233.938
_database_code_amcsd             0008533
_diffrn_ambient_pressure         3.73e+07
_exptl_crystal_density_diffrn    5.678
_cod_original_formula_sum        'Mg Fe2 O4'
_cod_database_code               9006951
_amcsd_formula_title             MgFe2O4
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
Mg 0.73100 0.36700 0.25000
Fe 0.29100 0.11600 0.08400
O1 0.73200 0.25000 0.00000
O2 0.23500 0.25600 0.25000
O3 0.00000 0.45500 0.11700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008533
