data_global _amcsd_formula_title 'La2NiO4' loop_ _publ_author_name 'Rodriguez-Carvajal J' 'Fernandez-Diaz M' 'Martinez J' _journal_name_full 'Journal of Physics: Condensed Matter' _journal_volume 3 _journal_year 1991 _journal_page_first 3215 _journal_page_last 3234 _publ_section_title ; Neutron diffraction study on structural and magnetic properties of La2NiO4 _cod_database_code 1006045 ; _database_code_amcsd 0013266 _chemical_formula_sum 'La2 Ni O4' _cell_length_a 5.4499 _cell_length_b 5.5275 _cell_length_c 12.5118 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 376.910 _exptl_crystal_density_diffrn 7.058 _symmetry_space_group_name_H-M 'B m a b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' 'x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '-x,1/2-y,1/2+z' '1/2-x,1/2-y,+z' '-x,y,z' '1/2-x,y,1/2+z' 'x,-y,-z' '1/2+x,-y,1/2-z' 'x,1/2-y,1/2+z' '1/2+x,1/2-y,+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z La1 0.00000 -0.00990 0.36340 Ni1 0.00000 0.00000 0.00000 O1 0.25000 0.25000 -0.00950 O2 0.00000 0.03970 0.17780