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#$Date: 2015-09-04 17:55:38 +0300 (Fri, 04 Sep 2015) $
#$Revision: 154017 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/95/1529568.cif $
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#
# 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_1529568
loop_
_publ_author_name
'Armbruster, T.'
'Lager, G.A.'
_publ_section_title
;
 Defect structure of the spinel Ni2.44 Ti.77 O4
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              725
_journal_page_last               728
_journal_volume                  42
_journal_year                    1981
_chemical_formula_sum            'Ni2.44 O4 Ti0.77'
_chemical_name_systematic        'Ni2.44 Ti.77 O4'
_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            8
_cell_length_a                   8.339
_cell_length_b                   8.339
_cell_length_c                   8.339
_cell_volume                     579.885
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Armbruster_JPCSAW_1981_777.cif
_cod_data_source_block           Ni2.44O4Ti0.77
_cod_database_code               1529568
loop_
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y+3/4,x+1/4,-z+1/2
-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
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x+3/4,-z,y+3/4
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-z+3/4,x,-y+3/4
-x,-z,-y
y,z,x
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y,x,z
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x-3/4,-y+1/2,z-1/4
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-z,x+1/4,y+1/4
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z-3/4,-x+1/2,y-1/4
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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
O1 O-2 0.2517 0.2517 0.2517 1 0.0
Ni2 Ni+2 0 0 0 0.22 0.0
Ti1 Ti+4 0.125 0.125 0.125 0.77 0.0
Ni1 Ni+2 0.5 0.5 0.5 1 0.0
