#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/69/9016918.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_9016918
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 = 61 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           51
_space_group_name_Hall           '-P 2a 2a'
_space_group_name_H-M_alt        'P m m a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.059
_cell_length_b                   2.659
_cell_length_c                   9.166
_cell_formula_units_Z            4
_cell_volume                     220.790
_database_code_amcsd             0019933
_diffrn_ambient_pressure         6.1e+07
_exptl_crystal_density_diffrn    6.726
_cod_data_source_file            inputs/fixed/downloads/05/05545.cif
_cod_data_source_block           05545
_cod_original_formula_sum        'Fe2 Ti O4'
_cod_database_code               9016918
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,z
-x,y,-z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,y,-z
1/2-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.25000 0.00000 0.39200
Fe2 0.25000 0.50000 0.89900
Fe3 0.09000 0.00000 0.13600
Ti 0.05700 0.50000 0.61000
O11 0.00000 0.00000 0.50000
O12 0.00000 0.50000 0.00000
O21 0.25000 0.50000 0.56100
O22 0.25000 0.00000 0.05100
O31 0.40000 0.50000 0.27200
O32 0.41800 0.00000 0.78300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019933
