#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/24/4002426.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_4002426
loop_
_publ_author_name
'Sommariva, M.'
'Catti, M.'
_publ_section_title
;
 Neutron diffraction study of quenched Li0.3 La0.567 Ti O3 lithium ion
 conducting perovskite
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2411
_journal_page_last               2417
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'La0.567 Li0.3 O3 Ti'
_chemical_name_systematic        'Li0.3 La0.567 Ti O3'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.48027
_cell_length_b                   5.48027
_cell_length_c                   7.75591
_cell_volume                     232.936
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Sommariva_CMATEX_2006_892.cif
_cod_data_source_block           La0.567Li0.3O3Ti1
_cod_original_formula_sum        'La0.567 Li0.3 O3 Ti1'
_cod_database_code               4002426
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,z
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 0.2759 0.2241 0 1 0.0
Li1 Li+1 0.668 0.168 0.226 0.075 0.0
Ti1 Ti+4 0 0 0 1 0.0
La1 La+3 0.5 0 0.25 0.567 0.0
O2 O-2 0 0 0.25 1 0.0
