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#$Date: 2015-09-10 00:07:00 +0300 (Thu, 10 Sep 2015) $
#$Revision: 155800 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530662.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1530662
loop_
_publ_author_name
'Rupp, B.'
'Fischer, P.'
_publ_section_title
;
 Reinvestigation of the oxygen stabilized Ti2 Ni-type phase Ti4 Fe2 O.4 by
 neutron diffraction
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              275
_journal_page_last               281
_journal_volume                  144
_journal_year                    1988
_chemical_formula_sum            'Fe2 O0.4 Ti4'
_chemical_name_systematic        'Ti4 Fe2 O0.4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.3326
_cell_length_b                   11.3326
_cell_length_c                   11.3326
_cell_volume                     1455.421
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Rupp_JCOMAH_1988_1679.cif
_cod_data_source_block           Fe2O0.4Ti4
_cod_database_code               1530662
loop_
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-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
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-x,-z,-y
y,z,x
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y,x,z
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z,-y+1/4,-x-3/4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1 Fe 0.2894 0.2894 0.2894 1 0.0
Ti2 Ti 0.5 0.5 0.5 1 0.0
Ti1 Ti 0.9361 0.125 0.125 1 0.0
O1 O 0 0 0 0.407 0.0
