data_global _amcsd_formula_title 'ScAlO3' loop_ _publ_author_name 'Hill R J' 'Jackson I' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 17 _journal_year 1990 _journal_page_first 89 _journal_page_last 96 _publ_section_title ; The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 1100 C ; _database_code_amcsd 0007468 _chemical_formula_sum 'Sc Al O3' _cell_length_a 4.9930 _cell_length_b 5.2690 _cell_length_c 7.2846 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 191.644 _exptl_crystal_density_diffrn 4.157 _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 0.98130 0.06760 0.25000 0.01216 Al 0.50000 0.00000 0.50000 0.00621 O1 0.12500 0.44780 0.25000 0.00101 O2 0.69190 0.30630 0.06210 -0.00127