data_global _amcsd_formula_title 'Nd Ni O3' loop_ _publ_author_name 'Lacorre P' 'Torrance J' 'Pannetier J' 'Nazzal A' 'Wang P' 'Huang T' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 91 _journal_year 1991 _journal_page_first 225 _journal_page_last 237 _publ_section_title ; Synthesis, crystal structure and properties of metallic PrNiO3: comparison with metallic NdNiO3 and semiconducting SmNiO3 _cod_database_code 1000303 ; _database_code_amcsd 0013706 _chemical_formula_sum 'Nd Ni O3' _cell_length_a 5.3888 _cell_length_b 5.3845 _cell_length_c 7.6127 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 220.890 _exptl_crystal_density_diffrn 7.545 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Nd1 0.99350 0.03590 0.25000 Ni1 0.50000 0.00000 0.00000 O1 0.07430 0.49300 0.25000 O2 0.71400 0.28790 0.03320