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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/18/1521869.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_1521869
loop_
_publ_author_name
'Ruiz-Trejo, E.'
'Islam, M.S.'
'Kilner, J.A.'
_publ_section_title
;
 Atomistic simulation of defects and ion migration in La Y O3
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              121
_journal_page_last               129
_journal_volume                  123
_journal_year                    1999
_chemical_formula_sum            'La O3 Y'
_chemical_name_systematic        'La Y O3'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.052
_cell_length_b                   5.936
_cell_length_c                   8.512
_cell_volume                     305.791
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Ruiz-Trejo_SSIOD3_1999_756.cif
_cod_data_source_block           La1O3Y1
_cod_original_cell_volume        305.7908
_cod_original_formula_sum        'La1 O3 Y1'
_cod_database_code               1521869
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,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
O3 O-2 0.0796 0.8746 0.0306 1 0.0
O1 O-2 0.3622 0.8409 0.7317 1 0.0
O2 O-2 0.267 0.7942 0.3636 1 0.0
Y1 Y+3 0.0171 0.0011 0.7708 1 0.0
La1 La+3 0.0322 0.5041 0.5 1 0.0
