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 = 2.113 GPa ; _database_code_amcsd 0008497 _chemical_formula_sum 'Li Sc Si2 O6' _cell_length_a 9.6937 _cell_length_b 8.8958 _cell_length_c 5.3047 _cell_angle_alpha 90 _cell_angle_beta 109.992 _cell_angle_gamma 90 _cell_volume 429.876 _exptl_crystal_density_diffrn 3.153 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 LiM2 0.24700 0.00800 0.23600 0.03040 ScM1 0.25100 0.64530 0.23600 0.00431 SiA 0.05060 0.33600 0.29000 0.00557 SiB 0.55080 0.83680 0.26410 0.00570 O1A 0.87240 0.33130 0.17150 0.00760 O1B 0.37110 0.83560 0.14590 0.00545 O2A 0.11700 0.50070 0.32970 0.00811 O2B 0.62600 0.99460 0.37010 0.00887 O3A 0.10880 0.26300 0.58610 0.00545 O3B 0.60360 0.71920 0.51710 0.00646