#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532991.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_1532991
loop_
_publ_author_name
'Kang Eun-Tae'
'Kwon Young-Jean'
_publ_section_title
;
 The structure determination of La0.667-x Li3x (vac)0.333-2x Ti O3 by the
 powder neutron and X-ray diffraction
;
_journal_name_full               'Journal of the Korean Ceramic Society'
_journal_page_first              513
_journal_page_last               518
_journal_volume                  40
_journal_year                    2003
_chemical_formula_sum            'La0.622 Li0.378 O3 Ti'
_chemical_name_systematic        '(La0.622 Li0.378) (Ti O3)'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8728
_cell_length_b                   3.8728
_cell_length_c                   7.7614
_cell_volume                     116.410
_citation_journal_id_ASTM        JKCSBW
_cod_data_source_file            KangEun-Tae_JKCSBW_2003_771.cif
_cod_data_source_block           La0.622Li0.378O3Ti1
_cod_original_cell_volume        116.41
_cod_original_formula_sum        'La0.622 Li0.378 O3 Ti1'
_cod_database_code               1532991
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
Li2 Li+1 0 0 0.5 0.212 0.0
La1 La+3 0 0 0 0.456 0.0
O2 O-2 0.5 0.5 0.5 1 0.0
La2 La+3 0 0 0.5 0.788 0.0
O3 O-2 0 0.5 0.2643 1 0.0
O1 O-2 0.5 0.5 0 1 0.0
Ti1 Ti+4 0.5 0.5 0.2465 1 0.0
Li1 Li+1 0 0 0 0.544 0.0
