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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/38/1533839.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_1533839
loop_
_publ_author_name
'Vashook, V.'
'Vasylechko, L.'
'Zosel, J.'
'Guth, U.'
_publ_section_title
;
 Synthesis, crystal structure and transport properties of La1-x Cax Cr0.5
 Ti0.5 O3-d
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              279
_journal_page_last               292
_journal_volume                  159
_journal_year                    2003
_chemical_formula_sum            'Ca0.75 Cr0.5 La0.25 O3 Ti0.5'
_chemical_name_systematic        '(La0.25 Ca0.75) (Cr0.5 Ti0.5 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                   5.402
_cell_length_b                   5.4241
_cell_length_c                   7.6482
_cell_volume                     224.100
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Vashook_SSIOD3_2003_910.cif
_cod_data_source_block           Ca0.75Cr0.5La0.25O3Ti0.5
_cod_original_cell_volume        224.0998
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1533839
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
O1 O-2 0.076 0.485 0.25 1 0.0
Ti1 Ti+4 0.5 0 0 0.5 0.0
Cr1 Cr+3 0.5 0 0 0.5 0.0
La1 La+3 -0.0044 0.0244 0.25 0.25 0.0
Ca1 Ca+2 -0.0044 0.0244 0.25 0.75 0.0
O2 O-2 0.212 0.218 0.5313 1 0.0