#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/70/9017076.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_9017076
loop_
_publ_author_name
'Ishii, T.'
'Kojitani, H.'
'Tsukamoto, S.'
'Fujino, K.'
'Mori, D.'
'Inaguma, Y.'
'Tsujino, N.'
'Yoshino, T.'
'Yamazaki, D.'
'Higo, Y.'
'Funakoshi, K.'
'Akaogi, M.'
_publ_section_title
;
 High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
 spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1788
_journal_page_last               1797
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 Fe O4'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.0633
_cell_length_b                   2.95793
_cell_length_c                   10.6391
_cell_formula_units_Z            4
_cell_volume                     285.219
_database_code_amcsd             0020399
_exptl_crystal_density_diffrn    5.213
_cod_data_source_file            inputs/fixed/downloads/05/05797.cif
_cod_data_source_block           05797
_cod_original_formula_sum        'Fe Cr2 O4'
_cod_database_code               9017076
_amcsd_formula_title             FeCr2O4
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe1 0.25600 0.25000 0.33000 0.02170
Cr1 0.05110 0.25000 0.61640 0.00640
Cr2 0.09040 0.25000 0.09740 0.00530
O1 0.30830 0.25000 0.15260 0.01070
O2 0.38950 0.25000 0.47590 0.01070
O3 0.44810 0.25000 0.71600 0.01070
O4 0.08030 0.25000 0.43230 0.01070
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020399
