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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/7/22/13/7221304.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_7221304
loop_
_publ_author_name
'Rodriguez, E.'
'Alvarez, I.'
'Veiga, M.L.'
'Lopez, M.L.'
'Pico, C.'
'Martinez, J.L.'
_publ_section_title
;
 Structural characterization and physical properties of La Ni1-x Mox O3
 (0.05 <= x <= 0.20)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              673
_journal_page_last               677
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'La Mo0.2 Ni0.8 O3'
_chemical_name_systematic        'La (Ni0.8 Mo0.2) 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                   5.5534
_cell_length_b                   5.5645
_cell_length_c                   7.8482
_cell_volume                     242.524
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Rodriguez_JMACEP_2001_1418.cif
_cod_data_source_block           La1Mo0.2Ni0.8O3
_cod_original_cell_volume        242.5242
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'La1 Mo0.2 Ni0.8 O3'
_cod_database_code               7221304
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
La1 La+3 -0.0101 -0.0321 0.25 1 0.0
Mo1 Mo+6 0.5 0 0 0.2 0.0
Ni1 Ni+2 0.5 0 0 0.8 0.0
O2 O-2 -0.061 0.507 0.25 1 0.0
O1 O-2 0.218 0.214 0.028 1 0.0
