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#$Date: 2015-09-29 08:57:43 +0300 (Tue, 29 Sep 2015) $
#$Revision: 158981 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532962.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_1532962
loop_
_publ_author_name
'Jovic, N.'
'Spasojevic-de Bire, A.'
'Antic, B.'
'Kremenovic, A.'
'Spasojevic, V.'
_publ_section_title
;
 Cation ordering and order-disorder phase transition in Co-substituted Li4
 Ti5 O12 spinels
;
_journal_name_full
'Physica Status Solidi, Sectio A: Applied Research'
_journal_page_first              18
_journal_page_last               28
_journal_volume                  198
_journal_year                    2003
_chemical_formula_sum            'Co1.5 Li0.33 O4 Ti1.17'
_chemical_name_systematic
'(Li0.087 Co0.913) (Co0.587 Li0.243 Ti1.17 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                   8.4176
_cell_length_b                   8.4176
_cell_length_c                   8.4176
_cell_volume                     596.437
_citation_journal_id_ASTM        PSSABA
_cod_data_source_file            Jovic_PSSABA_2003_644.cif
_cod_data_source_block           Co1.5Li0.33O4Ti1.17
_cod_original_cell_volume        596.4373
_cod_database_code               1532962
loop_
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x,y,z
-y,x+1/4,z+1/4
-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
x,-y+1/4,-z+1/4
y+3/4,x+1/4,-z+1/2
-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
-x,z+1/4,y+1/4
-z+3/4,-x+1/4,y+1/2
x+3/4,-z,y+3/4
z,-x+1/4,-y+1/4
x+3/4,z+1/4,-y+1/2
-z+3/4,x,-y+3/4
-x,-z,-y
y,z,x
y+1/2,-z+3/4,-x+1/4
z+1/4,y+3/4,-x+1/2
-y+1/4,z+1/2,-x+3/4
-z,-y+1/2,-x+1/2
-y+1/4,-z+1/4,x
z+1/4,-y,x+1/4
-z+1/2,y+1/4,x+3/4
-x,-y,-z
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x-3/4,y-1/4,-z-1/2
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-x,y-1/4,z-1/4
-y-3/4,-x-1/4,z-1/2
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y,x,z
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x,z,y
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-y-3/4,x+1/2,-z-1/4
-x,y+1/4,z+1/4
-y-3/4,-x+1/4,z
x-3/4,-y+1/2,z-1/4
y,x+1/2,z+1/2
-z,-x+1/2,-y+1/2
x,-z+1/4,-y+1/4
z-3/4,x+1/4,-y
-x-3/4,z+1/2,-y-1/4
-z,x+1/4,y+1/4
-x-3/4,-z+1/4,y
z-3/4,-x+1/2,y-1/4
x,z+1/2,y+1/2
-y,-z+1/2,-x+1/2
-y-1/2,z-1/4,x+1/4
-z-1/4,-y-1/4,x
y-1/4,-z,x-1/4
z,y,x
y-1/4,z+1/4,-x+1/2
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z-1/2,-y+1/4,-x-1/4
x+1/2,y,z+1/2
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z+1/2,y-1/2,x
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z-1/4,-x+1/2,y-3/4
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y+1/4,-z,x-3/4
z+1/2,y,x-1/2
y+1/4,z+1/4,-x
-z+1/4,y+1/2,-x-1/4
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
Ti1 Ti+4 0.5 0.5 0.5 0.585 0.0
Co1 Co+2 0.125 0.125 0.125 0.913 0.0
O1 O-2 0.2602 0.2602 0.2602 1 0.0
Li2 Li+1 0.5 0.5 0.5 0.1215 0.0
Co2 Co+2 0.5 0.5 0.5 0.2935 0.0
Li1 Li+1 0.125 0.125 0.125 0.087 0.0
