#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017027.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_9017027
loop_
_publ_author_name
'Gatta, G. D.'
'Bosi, F.'
'McIntyre, G. J.'
'Halenius, U.'
_publ_section_title
;
 Static positional disorder in ulvospinel: A single-crystal neutron diffraction study.
 Note:Refinement with Ti at .49, .49, .49
;
_journal_name_full               'American Mineralogist'
_journal_page_first              255
_journal_page_last               260
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2.134 O4 Ti0.864'
_chemical_name_mineral           Ulvospinel1
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5139
_cell_length_b                   8.5139
_cell_length_c                   8.5139
_cell_formula_units_Z            8
_cell_volume                     617.143
_database_code_amcsd             0020091
_exptl_crystal_density_diffrn    4.833
_cod_data_source_file            inputs/fixed/downloads/05/05658.cif
_cod_data_source_block           05658
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Fe2.134 Ti.864 O4'
_cod_database_code               9017027
loop_
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1/4-y,1/2+z,3/4-x
1/4-y,+z,1/4-x
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
FeT 0.12500 0.12500 0.12500 1.00000 0.01120
FeM 0.50000 0.50000 0.50000 0.56700 0.01030
TiM 0.49000 0.49000 0.49000 0.21600 0.00890
O 0.25997 0.25997 0.25997 1.00000 0.01490
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020091
