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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/60/1006010.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_1006010
loop_
_publ_author_name
'Puche, R S'
'Fernandez, F'
'Rodriguez Carvajal, J'
'Martinez, J L'
_publ_section_title
;
Magnetic And X-Ray Diffraction Characterization of Stoichiometric Pr₂
Ni O₄ and Nd₂ Ni O₄ Oxides
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              273
_journal_page_last               277
_journal_paper_doi               10.1016/0038-1098(89)90809-0
_journal_volume                  72
_journal_year                    1989
_chemical_formula_structural     'Pr2 Ni O4'
_chemical_formula_sum            'Ni O4 Pr2'
_chemical_name_systematic        'Dipraseodymium 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                   5.4042(5)
_cell_length_b                   5.5780(5)
_cell_length_c                   12.220(1)
_cell_volume                     368.4
_cod_database_code               1006010
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
Pr1 Pr3+ 8 f 0. -0.0150(6) 0.3621(2) 1. 0 d
Ni1 Ni2+ 4 a 0. 0. 0. 1. 0 d
O1 O2- 8 e 0.25 0.25 -0.0186(2) 1. 0 d
O2 O2- 8 f 0. 0.079(4) 0.179(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pr3+ 3.000
Ni2+ 2.000
O2- -2.000
