data_global _amcsd_formula_title 'Ni O3 Pr' loop_ _publ_author_name 'Huang T' 'Parrish W' 'Toraya H' 'Lacorre P' 'Torrance J' _journal_name_full 'Materials Research Bulletin' _journal_volume 25 _journal_year 1990 _journal_page_first 1091 _journal_page_last 1098 _publ_section_title ; High temperature crystal structures of orthorhombic and rhombohedral PrNiO3 _cod_database_code 1000294 ; _database_code_amcsd 0014352 _chemical_formula_sum 'Pr Ni O3' _cell_length_a 5.4614 _cell_length_b 5.4614 _cell_length_c 13.1319 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 339.208 _exptl_crystal_density_diffrn 7.272 _symmetry_space_group_name_H-M 'R -3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,1/2+z' '2/3+x,1/3+x-y,5/6+z' '1/3+x,2/3+x-y,1/6+z' 'y,x,1/2-z' '2/3+y,1/3+x,5/6-z' '1/3+y,2/3+x,1/6-z' '-x+y,y,1/2+z' '2/3-x+y,1/3+y,5/6+z' '1/3-x+y,2/3+y,1/6+z' '-x,-x+y,1/2-z' '2/3-x,1/3-x+y,5/6-z' '1/3-x,2/3-x+y,1/6-z' '-y,-x,1/2+z' '2/3-y,1/3-x,5/6+z' '1/3-y,2/3-x,1/6+z' 'x-y,-y,1/2-z' '2/3+x-y,1/3-y,5/6-z' '1/3+x-y,2/3-y,1/6-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pr1 0.00000 0.00000 0.25000 Ni1 0.00000 0.00000 0.00000 O1 0.44420 0.00000 0.25000