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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/62/1526216.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_1526216
loop_
_publ_author_name
'Park, J.-C.'
'Kim, D.-K.'
'Byeon, S.H.'
'Kim, D.'
_publ_section_title
;
 XANES study on Ruddlesden-Popper phase, La~n+1~Ni~n~O2~n+1~ (n = 1, 2 and
 \\infty )
;
_journal_issue                   2
_journal_name_full               'Journal of Synchrotron Radiation'
_journal_page_first              704
_journal_page_last               706
_journal_paper_doi               10.1107/S0909049500015983
_journal_volume                  8
_journal_year                    2001
_chemical_formula_sum            'La3 Ni2 O6.94'
_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                   5.3934
_cell_length_b                   5.4364
_cell_length_c                   20.516
_cell_volume                     601.543
_citation_journal_id_ASTM        JSYRES
_cod_data_source_file            Park_JSYRES_2001_1748.cif
_cod_data_source_block           La3Ni2O6.94
_cod_original_cell_volume        601.5431
_cod_database_code               1526216
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
O3 O-2 0.75 0.25 0.0995 1 0.0
La1 La+3 0 0 0.5 1 0.0
La2 La+3 0 0 0.3191 1 0.0
O1 O-2 0 0 0 0.94 0.0
O2 O-2 0 0 0.199 1 0.0
Ni1 Ni+2 0 0 0.0975 1 0.0