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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/7/03/57/7035750.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_7035750
loop_
_publ_author_name
'Aguadero, A.'
'Alonso, J.A.'
'Escudero, M.J.'
'Perez, M.'
'Pomjakushin, V.'
'Daza, L.'
_publ_section_title
;
 Effect of Sr content on the crystal structure and electrical properties
 of the system La(2-x) Sr(x) Ni O(4+delta) (0 <= x <=1 )
;
_journal_name_full
'Journal of the Chemical Society. Dalton Transactions'
_journal_page_first              4377
_journal_page_last               4383
_journal_volume                  2006
_journal_year                    2006
_chemical_formula_sum            'La Ni O4 Sr'
_chemical_name_systematic        '(La Sr) Ni O4'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3969
_cell_length_b                   5.3969
_cell_length_c                   12.7331
_cell_volume                     370.871
_citation_journal_id_ASTM        JCSDAA
_cod_data_source_file            Aguadero_JCSDAA_2006_1385.cif
_cod_data_source_block           La1Ni1O4Sr1
_cod_original_sg_symbol_Hall     '-I 4 2 '
_cod_original_sg_symbol_H-M      'I 4/m m m '
_cod_original_formula_sum        'La1 Ni1 O4 Sr1'
_cod_database_code               7035750
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-y,-x,-z
x,-y,-z
y,x,-z
-x,y,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
y,x,z
-x,y,z
-y,-x,z
x,-y,z
-x+1/2,-y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
-y+1/2,x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
x+1/2,y+1/2,-z+1/2
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
y+1/2,-x+1/2,z+1/2
y+1/2,x+1/2,-z+1/2
y+1/2,x+1/2,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
Ni1 Ni+3 0 0 0 1 0.0
La1 La+3 0 0 0.3655 0.5 0.0
O1 O-2 0.25 0.25 0 1 0.0
Sr1 Sr+2 0 0 0.3655 0.5 0.0
O2 O-2 0 0 0.1695 1 0.0
