#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/58/1525896.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_1525896
loop_
_publ_author_name
'Dilanian, R.A.'
'Yamamoto, A.'
'Kamiyama, T.'
'Izumi, F.'
_publ_section_title
;
 Crystal structures and resistivities of La1/3 Lix Nb O3
;
_journal_name_full               'Molecular Crystals and Liquid Crystals'
_journal_page_first              225
_journal_page_last               230
_journal_volume                  341
_journal_year                    2000
_chemical_formula_sum            'La0.333 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                   7.81935
_cell_length_b                   7.83789
_cell_length_c                   7.91329
_cell_volume                     484.983
_citation_journal_id_ASTM        MCLCE9
_cod_data_source_file            Dilanian_MCLCE9_2000_204.cif
_cod_data_source_block           La0.333Nb1O3
_cod_original_cell_volume        484.9834
_cod_original_formula_sum        'La0.333 Nb1 O3'
_cod_database_code               1525896
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
O1 O-2 0.22874 0 0 1 0.0
Nb1 Nb+5 0.25 0 0.26022 1 0.0
O2 O-2 0.27126 0 0.5 1 0.0
La1 La+3 0 0.25 0 0.667 0.0
O3 O-2 0 0 0.25413 1 0.0
O4 O-2 0 0.5 0.21316 1 0.0
O5 O-2 0.25 0.25 0.23427 1 0.0
