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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/48/9014886.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_9014886
loop_
_publ_author_name
'Nishio-Hamane D'
'Zhang, M.'
'Yagi, T.'
'Ma, Y.'
_publ_section_title
;
 High-pressure and high-temperature phase transitions in FeTiO3
 and a new dense FeTi3O7 structure
 Note: P = 61 GPa, T = 300 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              568
_journal_page_last               572
_journal_paper_doi               10.2138/am.2012.3973
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe O7 Ti3'
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.9522
_cell_length_b                   2.7397
_cell_length_c                   5.9953
_cell_formula_units_Z            2
_cell_volume                     163.468
_database_code_amcsd             0018864
_exptl_crystal_density_diffrn    6.328
_cod_original_formula_sum        'Fe Ti3 O7'
_cod_database_code               9014886
_amcsd_formula_title             FeTi3O7
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
-x,-y,z
1/2-x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.00000 0.00000 0.66500
Ti1 0.00000 0.50000 0.20500
Ti2 0.23280 0.00000 0.89600
O1 0.00000 0.00000 -0.01300
O2 0.30130 0.00000 0.60700
O3 0.65100 0.00000 0.22300
O4 0.88500 0.00000 0.38600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018864
