#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/09/1520922.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_1520922
loop_
_publ_author_name
'Carrillo, L.'
'Villafuerte-Castrejon, M.E.'
'Pomes, R.'
'Gonzalez, G.'
'Sansores, L.E.'
'Duque, J.'
'Bucio, L.'
_publ_section_title
;
 Superstructure determination of the perovskite beta-(La0.33 Nb O3)
;
_journal_name_full               'Journal of Materials Science'
_journal_page_first              3047
_journal_page_last               3052
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'La0.303 Nb O3'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.82
_cell_length_b                   7.83
_cell_length_c                   7.9
_cell_volume                     483.722
_citation_journal_id_ASTM        JMTSAS
_cod_data_source_file            Carrillo_JMTSAS_2000_1583.cif
_cod_data_source_block           La0.303Nb1O3
_cod_original_cell_volume        483.7217
_cod_original_formula_sum        'La0.303 Nb1 O3'
_cod_database_code               1520922
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
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
O4 O-2 0.25 0.25 0.5 1 0.0
Nb1 Nb+5 0.25 0.25 0.2631 1 0.0
O3 O-2 0.25 0.25 0 1 0.0
La1 La+3 0 0 0 0.5601 0.0
O2 O-2 0.2612 0 0.22011 1 0.0
O1 O-2 0 0.2706 0.2545 1 0.0
La2 La+3 0 0.5 0 0.6541 0.0
