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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/60/1006026.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_1006026
loop_
_publ_author_name
'Rodriguez-Carvajal, J'
'Fernandez-Diaz, M T'
'Martinez, J L'
'Fernandez, F'
'Saez-Puche, R'
_publ_section_title
;
Structural phase transitions and three-dimensional magnetic ordering in
the Nd~2~NiO~4~ oxide
;
_journal_coden_ASTM              EULEEJ
_journal_name_full               'Europhysics Letters'
_journal_page_first              261
_journal_page_last               268
_journal_paper_doi               10.1209/0295-5075/11/3/013
_journal_volume                  11
_journal_year                    1990
_chemical_formula_structural     'Nd2 Ni O4'
_chemical_formula_sum            'Nd2 Ni O4'
_chemical_name_systematic        'Dineodymium nickel oxide'
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.37325(9)
_cell_length_b                   5.5913(1)
_cell_length_c                   12.0976(2)
_cell_volume                     363.5
_refine_ls_R_factor_all          0.0646
_cod_database_code               1006026
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,1/2+y,1/2-z
x,1/2-y,1/2+z
-x,-y,-z
-x,y,z
-x,1/2-y,1/2+z
-x,1/2+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,-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
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ni1 Ni2+ 4 a 0. 0. 0. 1. 0 d
Nd1 Nd3+ 8 f 0. -0.0173(3) 0.3630(1) 1. 0 d
O1 O2- 8 e 0.25 0.25 -0.0177(2) 1. 0 d
O2 O2- 8 f 0. 0.0652(3) 0.1806(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ni2+ 2.000
Nd3+ 3.000
O2- -2.000