data_global _amcsd_formula_title 'ScAlO3' loop_ _publ_author_name 'Ross N L' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 25 _journal_year 1998 _journal_page_first 597 _journal_page_last 602 _publ_section_title ; High pressure study of ScAlO3 perovskite Sample: P = 0.0 GPa ; _database_code_amcsd 0008162 _chemical_formula_sum 'Sc Al O3' _cell_length_a 4.9371 _cell_length_b 5.2322 _cell_length_c 7.2042 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 186.098 _exptl_crystal_density_diffrn 4.281 _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 _atom_site_U_iso_or_equiv Sc 0.97960 0.06950 0.25000 0.00849 Al 0.00000 0.50000 0.00000 0.00798 O1 0.12110 0.45610 0.25000 0.00950 O2 0.68970 0.30660 0.06090 0.00773