data_1000302
_chemical_name_systematic          'Praseodymium nickel(III) oxide'
_chemical_formula_structural       'Pr Ni O3'
_chemical_formula_sum              'Ni O3 Pr'
_publ_section_title
;
Synthesis, crystal structure and properties of metallic PrNiO~3~:
comparison with metallic NdNiO~3~ and semiconducting SmNiO~3~
;
loop_
_publ_author_name
  'Lacorre, P'
  'Torrance, J B'
  'Pannetier, J'
  'Nazzal, A I'
  'Wang, P W'
  'Huang, T C'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    91
_journal_year                      1991
_journal_page_first                225
_journal_page_last                 237
_cell_length_a                     5.4154(1)
_cell_length_b                     5.3755(1)
_cell_length_c                     7.6192(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       221.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P b n m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,y,1/2-z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pr3+   3.000
  Ni3+   3.000
  O2-   -2.000
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+   4 c 0.9959(3) 0.0293(2) 0.25 1.  0 d
  Ni1   Ni3+   4 b 0.5 0. 0. 1.  0 d
  O1    O2-    4 c 0.0739(24) 0.4948(17) 0.25 1.  0 d
  O2    O2-    8 d 0.7251(20) 0.2829(19) 0.0337(13) 1.  0 d
_refine_ls_R_factor_all            0.033