data_global _chemical_name_mineral 'Spodumene' 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 = 8.835 GPa ; _database_code_amcsd 0008495 _chemical_formula_sum 'Li Al Si2 O6' _cell_length_a 9.2007 _cell_length_b 8.2656 _cell_length_c 5.0240 _cell_angle_alpha 90 _cell_angle_beta 108.910 _cell_angle_gamma 90 _cell_volume 361.451 _exptl_crystal_density_diffrn 3.420 _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 0.25870 0.01500 0.22400 0.02913 AlM1 0.25050 0.65650 0.21560 0.00393 SiA 0.04680 0.34410 0.28210 0.00532 SiB 0.55330 0.84130 0.23020 0.00494 O1A 0.85900 0.33270 0.17410 0.00456 O1B 0.36590 0.83070 0.10810 0.00469 O2A 0.11680 0.51690 0.28440 0.01039 O2B 0.62470 0.00740 0.36620 0.00418 O3A 0.11280 0.28570 0.60910 0.00342 O3B 0.61360 0.69990 0.46670 0.00456