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#$Date: 2015-09-28 16:02:55 +0300 (Mon, 28 Sep 2015) $
#$Revision: 158607 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/26/1532652.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_1532652
loop_
_publ_author_name
'Cwik, M.'
'Bouree, F.'
'Lorenz, T.'
'Baier, J.'
'Mueller, R.'
'Andre, G.'
'Lichtenberg, F.'
'Braden, M.'
'Mueller-Hartmann, E.'
'Schmitz, R.'
'Freimuth, A.'
_publ_section_title
;
 Crystal and magnetic structure of La Ti O3 : evidence for nondegenerate
 t2g orbitals
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              060401-1
_journal_page_last               060401-4
_journal_volume                  68
_journal_year                    2003
_chemical_formula_sum            'La O3 Ti'
_chemical_name_systematic        'La (Ti O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6336
_cell_length_b                   5.6156
_cell_length_c                   7.9145
_cell_volume                     250.383
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Cwik_PRBMDO_2003_886.cif
_cod_data_source_block           La1O3Ti1
_cod_cif_authors_sg_Hall         '-P 2ac 2n (z,x,y)'
_cod_original_cell_volume        250.3835
_cod_chemical_formula_sum_orig   'La1 O3 Ti1'
_cod_database_code               1532652
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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 0.9916 0.0457 0.25 1 0.0
Ti1 Ti+3 0.5 0 0 1 0.0
O2 O-2 0.7096 0.2941 0.0417 1 0.0
O1 O-2 0.0799 0.4913 0.25 1 0.0