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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/1/52/89/1528911.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_1528911
loop_
_publ_author_name
'Takahashi, Y.'
'Kijima, N.'
'Akimoto, J.'
_publ_section_title
;
 Single crystal synthesis and structure refinement of the Li Co O2 - Li Al
 O2 solid solution compounds: Li Al0.32 Co0.68 O2 and Li Al0.71 Co0.29 O2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3667
_journal_page_last               3671
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Al0.71 Co0.29 Li O2'
_chemical_name_systematic        'Li Al0.71 Co0.29 O2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   2.8023
_cell_length_b                   2.8023
_cell_length_c                   14.184
_cell_volume                     96.463
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Takahashi_JSSCBI_2005_710.cif
_cod_data_source_block           Al0.71Co0.29Li1O2
_cod_original_cell_volume        96.46252
_cod_original_formula_sum        'Al0.71 Co0.29 Li1 O2'
_cod_database_code               1528911
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Al1 Al+3 0 0 0.5 0.711 0.0
Li1 Li+1 0 0 0 1 0.0
O1 O-2 0 0 0.23877 1 0.0
Co1 Co+3 0 0 0.5 0.289 0.0
