data_global _amcsd_formula_title 'Nd Ni O3' loop_ _publ_author_name 'Garcia-Munoz J' 'Rodriguez-Carvajal' 'Lacorre P' 'Torrance J' _journal_name_full 'Physical Review' _journal_volume B46 _journal_year 1992 _journal_page_first 4414 _journal_page_last 4425 _publ_section_title ; Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition _cod_database_code 1000317 ; _database_code_amcsd 0015266 _chemical_formula_sum 'Nd Ni O3' _cell_length_a 5.3879 _cell_length_b 5.3797 _cell_length_c 7.6058 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 220.456 _exptl_crystal_density_diffrn 7.560 _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 0.99720 0.03600 0.25000 Ni1 0.50000 0.00000 0.00000 O1 0.07100 0.49030 0.25000 O2 0.71200 0.28500 0.03660