#------------------------------------------------------------------------------
#$Date: 2015-10-05 14:16:58 +0300 (Mon, 05 Oct 2015) $
#$Revision: 160098 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/38/1533817.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_1533817
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            'Ca0.1 Cr0.5 La0.9 O3 Ti0.5'
_chemical_name_systematic        '(La0.9 Ca0.1) (Cr0.5 Ti0.5 O3)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.4945
_cell_length_b                   5.4945
_cell_length_c                   13.3924
_cell_volume                     350.143
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Vashook_SSIOD3_2003_901.cif
_cod_data_source_block           Ca0.1Cr0.5La0.9O3Ti0.5
_cod_database_code               1533817
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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 0.448 0 0.25 1 0.0
La1 La+3 0 0 0.25 0.9 0.0
Ti1 Ti+3 0 0 0 0.5 0.0
Cr1 Cr+3 0 0 0 0.5 0.0
Ca1 Ca+2 0 0 0.25 0.1 0.0
