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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/83/1528326.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_1528326
loop_
_publ_author_name
'Avdeev, G.'
'Petrov, K.'
'Mitov, I.'
_publ_section_title
;
 X-ray diffraction and Moessbauer spectroscopy studies of Li Fe0.5 Ti1.5
 O4 - a new primitive cubic ordered spinel
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1135
_journal_page_last               1139
_journal_volume                  9
_journal_year                    2007
_chemical_formula_sum            'Fe0.5 Li O4 Ti1.5'
_chemical_name_systematic        'Li Fe0.5 Ti1.5 O4'
_space_group_IT_number           212
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.4048
_cell_length_b                   8.4048
_cell_length_c                   8.4048
_cell_volume                     593.721
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Avdeev_SSSCFJ_2007_1441.cif
_cod_data_source_block           Fe0.5Li1O4Ti1.5
_cod_original_cell_volume        593.7207
_cod_original_formula_sum        'Fe0.5 Li1 O4 Ti1.5'
_cod_database_code               1528326
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+3/4,x+1/4,z+3/4
-x+1/2,-y,z+1/2
y+3/4,-x+3/4,z+1/4
x+1/2,-y+1/2,-z
y+1/4,x+3/4,-z+3/4
-x,y+1/2,-z+1/2
-y+1/4,-x+1/4,-z+1/4
z,x,y
-x+3/4,z+1/4,y+3/4
-z+1/2,-x,y+1/2
x+3/4,-z+3/4,y+1/4
z+1/2,-x+1/2,-y
x+1/4,z+3/4,-y+3/4
-z,x+1/2,-y+1/2
-x+1/4,-z+1/4,-y+1/4
y,z,x
y+1/2,-z+1/2,-x
z+1/4,y+3/4,-x+3/4
-y,z+1/2,-x+1/2
-z+1/4,-y+1/4,-x+1/4
-y+1/2,-z,x+1/2
z+3/4,-y+3/4,x+1/4
-z+3/4,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+2 -0.0001 -0.0001 -0.0001 0.474 0.0
Li2 Li+1 0.625 0.625 0.625 0.948 0.0
Fe2 Fe+2 0.625 0.625 0.625 0.052 0.0
O1 O-2 0.3898 0.3898 0.3898 1 0.0
O2 O-2 0.1037 0.1286 0.392 1 0.0
Li1 Li+1 -0.0001 -0.0001 -0.0001 0.526 0.0
Ti1 Ti+4 0.125 0.3691 0.8809 1 0.0
