data_global _amcsd_formula_title 'LiScSi2O6' loop_ _publ_author_name 'Arlt T' 'Angel R J' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 27 _journal_year 2000 _journal_page_first 719 _journal_page_last 731 _publ_section_title ; Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 0 GPa ; _database_code_amcsd 0008496 _chemical_formula_sum 'Li Sc Si2 O6' _cell_length_a 9.7969 _cell_length_b 8.9459 _cell_length_c 5.3581 _cell_angle_alpha 90 _cell_angle_beta 110.376 _cell_angle_gamma 90 _cell_volume 440.212 _exptl_crystal_density_diffrn 3.079 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv LiM2 0.00000 0.25740 0.25000 0.01950 ScM1 0.00000 0.89501 0.25000 0.00507 Si 0.29900 0.08678 0.27780 0.00507 O1 0.12090 0.08350 0.15820 0.00583 O2 0.37090 0.24860 0.34480 0.00899 O3 0.35450 0.00570 0.05790 0.01051