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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/1/53/22/1532217.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_1532217
loop_
_publ_author_name
'Voronin, V.I.'
'Cherepanov, V.A.'
'Berger, I.F.'
'Gavrilova, L.Ya.'
'Tolochko, B.P.'
'Nikitenko, S.G.'
'Ancharov, A.I.'
'Petrov, A.N.'
_publ_section_title
;
 Neutron diffraction, synchrotron radiation and EXAFS spectroscopy study
 of crystal structure peculiarities of the lanthanum nickelates Lan+1 Nin
 Oy (n = 1, 2, 3)
;
_journal_name_full
'Nuclear Instruments & Methods in Physics Research A'
_journal_page_first              202
_journal_page_last               209
_journal_volume                  470
_journal_year                    2001
_chemical_formula_sum            'La3 Ni2 O6.84'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.502
_cell_length_b                   5.4494
_cell_length_c                   5.3981
_cell_volume                     603.095
_citation_journal_id_ASTM        NIMAER
_cod_data_source_file            Voronin_NIMAER_2001_1732.cif
_cod_data_source_block           La3Ni2O6.84
_cod_original_cell_volume        603.0952
_cod_database_code               1532217
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+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
O2 O-2 0.203 0.2141 0.25 1 0.0
Ni1 Ni+2 0.0964 0.259 0.25 1 0.0
O1 O-2 0 0.297 0.25 0.84 0.0
O4 O-2 0.0899 0 0.5 1 0.0
La1 La+3 0.5 0.268 0.25 1 0.0
O3 O-2 0.1044 0.5 0 1 0.0
La2 La+3 0.317 0.269 0.25 1 0.0
