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#$Date: 2015-09-08 22:26:48 +0300 (Tue, 08 Sep 2015) $
#$Revision: 155305 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/30/05/2300526.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2300526
loop_
_publ_author_name
'Lager, G.A.'
'Rotella, F.J.'
'Ross, F.K.'
'Armbruster, T.'
'Jorgensen, J.D.'
_publ_section_title
;
 Neutron powder diffraction study of defect spinel structures:
 Tetrahedrally coordinated Ti4+ in Ni2.62 Ti0.69 O4 and Ni2.42 Ti0.74
 Si0.05 O4
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              261
_journal_page_last               264
_journal_volume                  14
_journal_year                    1981
_chemical_formula_sum            'Ni2.42 O4 Si0.05 Ti0.65'
_chemical_name_systematic        'Ni2.42 Ti0.74 Si0.05 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                   8.3222
_cell_length_b                   8.3222
_cell_length_c                   8.3222
_cell_volume                     576.387
_citation_journal_id_ASTM        JACGAR
_cod_data_source_file            Lager_JACGAR_1981_741.cif
_cod_data_source_block           Ni2.42O4Si0.05Ti0.65
_cod_original_cell_volume        576.3873
_cod_database_code               2300526
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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
Ti1 Ti+4 0.125 0.125 0.125 0.65 0.0
Si1 Si+4 0.125 0.125 0.125 0.05 0.0
O1 O-2 0.2515 0.2515 0.2515 1 0.0
Ni2 Ni+2 0 0 0 0.2 0.0
Ni1 Ni+2 0.5 0.5 0.5 1.01 0.0