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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/16/1531699.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_1531699
loop_
_publ_author_name
'Kirk, C.A.'
'West, A.R.'
_publ_section_title
;
 Crystal structure of the perovskite-related phase of approximate
 composition La Li1/3 Ti2/3 O3
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1163
_journal_page_last               1166
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'La Li0.333 O3 Ti0.667'
_chemical_name_systematic        'La (Li0.333 Ti0.667) O3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.834
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5639
_cell_length_b                   5.5688
_cell_length_c                   7.849
_cell_volume                     243.194
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirk_SSSCFJ_2002_893.cif
_cod_data_source_block           La1Li0.333O3Ti0.667
_cod_original_cell_volume        243.1943
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'La1 Li0.333 O3 Ti0.667'
_cod_database_code               1531699
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
La1 La+3 0.494 0.5347 0.2484 1 0.0
O1 O-2 0.2809 0.2936 0.0376 1 0.0
Li1 Li+1 0 0.5 0 0.667 0.0
Ti2 Ti+4 0 0.5 0 0.333 0.0
Ti1 Ti+4 0.5 0 0 1 0.0
O3 O-2 0.5745 0.9862 0.2541 1 0.0
O2 O-2 0.2114 0.7812 0.0419 1 0.0
