#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533506.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_1533506
loop_
_publ_author_name
'Shivakumara, C.'
'Lalla, N.P.'
'Hegde, M.S.'
'Prakash, A.S.'
'Subbanna, G.N.'
'Khadar, A.M.A.'
_publ_section_title
;
 Low temperature synthesis, structure and properties of alkali-doped La2
 Ni O4, La Ni O3 and La Ni0.85 Cu0.15 O3 from alkali hydroxide fluxes
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              351
_journal_page_last               357
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'La1.95 Na0.05 Ni O4'
_chemical_name_systematic        '(La1.95 Na0.05) (Ni O4)'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.501
_cell_length_b                   5.4744
_cell_length_c                   12.5783
_cell_volume                     378.791
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Shivakumara_SSSCFJ_2003_995.cif
_cod_data_source_block           La1.95Na0.05Ni1O4
_cod_original_cell_volume        378.7914
_cod_original_formula_sum        'La1.95 Na0.05 Ni1 O4'
_cod_database_code               1533506
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,y+1/2,z+1/2
-x,-y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
x,y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
x+1/2,-y,-z+1/2
-x+1/2,y,-z+1/2
-x+1/2,-y,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z+1/2
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
Na1 Na+1 0 0 0.3643 0.025 0.0
O2 O-2 0 0 0.1827 0.25 0.0
O4 O-2 -0.064 -0.064 0.1455 0.25 0.0
O1 O-2 0.25 0.25 0 0.25 0.0
La1 La+3 0 0 0.3643 0.975 0.0
Ni1 Ni+2 0 0 0 1 0.0
O3 O-2 0.25 0.25 0.235 0.25 0.0
