#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/69/9016914.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_9016914
loop_
_publ_author_name
'Yamanaka, T.'
'Kyono, A.'
'Nakamoto, Y.'
'Meng, Y.'
'Kharlamova, S.'
'Struzhkin, V. V.'
'Mao, H.'
_publ_section_title
;
 High-pressure phase transitions of Fe3-xTixO4 solid solution
 up to 60 GPa correlated with electronic spin transition
 Note: P = 5.58 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              736
_journal_page_last               744
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 O4 Ti'
_chemical_name_mineral           Ulvospinel
_space_group_IT_number           227
_space_group_name_Hall           'F 4d 2 3 -1d'
_space_group_name_H-M_alt        'F d -3 m :1'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4480
_cell_length_b                   8.4480
_cell_length_c                   8.4480
_cell_formula_units_Z            8
_cell_volume                     602.923
_database_code_amcsd             0019929
_diffrn_ambient_pressure         5.58e+06
_exptl_crystal_density_diffrn    4.926
_cod_data_source_file            inputs/fixed/downloads/05/05541.cif
_cod_data_source_block           05541
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe2 Ti O4'
_cod_database_code               9016914
loop_
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x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
3/4+z,3/4-x,1/4+y
3/4+z,1/4-x,3/4+y
1/4+z,3/4-x,3/4+y
1/4+z,1/4-x,1/4+y
-y,1/2+z,1/2-x
-y,+z,-x
1/2-y,1/2+z,-x
1/2-y,+z,1/2-x
3/4+x,3/4-y,1/4+z
3/4+x,1/4-y,3/4+z
1/4+x,3/4-y,3/4+z
1/4+x,1/4-y,1/4+z
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3/4+x,3/4+y,1/4-z
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3/4-z,3/4+x,1/4+y
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y,-z,-x
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1/4-x,3/4+y,3/4+z
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1/2-y,-x,1/2+z
1/2-y,1/2-x,z
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3/4+y,3/4+x,1/4-z
3/4+y,1/4+x,3/4-z
1/4+y,3/4+x,3/4-z
1/4+y,1/4+x,1/4-z
1/4-z,1/4-x,1/4-y
1/4-z,3/4-x,3/4-y
3/4-z,1/4-x,3/4-y
3/4-z,3/4-x,1/4-y
y,z,x
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1/2+y,z,1/2+x
1/2+y,1/2+z,x
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1/4-x,3/4-y,3/4-z
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z,1/2+x,1/2+y
1/2+z,x,1/2+y
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1/4-y,3/4-z,3/4-x
3/4-y,1/4-z,3/4-x
3/4-y,3/4-z,1/4-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 0.00000 0.00000 0.00000 1.00000
Ti2 0.62500 0.62500 0.62500 0.50000
Fe2 0.62500 0.62500 0.62500 0.50000
O 0.38580 0.38580 0.38580 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019929
