data_global _chemical_name_mineral 'Spodumene-II' loop_ _publ_author_name 'Li C T' 'Peacor D R' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 126 _journal_year 1968 _journal_page_first 46 _journal_page_last 65 _publ_section_title ; The crystal structure LiAlSi2O6-II ("beta spodumene") Note, y coordinate of Si1 altered according to Clarke and Spink (1969) ; _database_code_amcsd 0010656 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li (Al Si2) O6' _cell_length_a 7.541 _cell_length_b 7.541 _cell_length_c 9.156 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 520.671 _exptl_crystal_density_diffrn 2.374 _symmetry_space_group_name_H-M 'P 43 21 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '1/2-y,1/2+x,3/4+z' '1/2-x,1/2+y,3/4-z' '-x,-y,1/2+z' '-y,-x,1/2-z' '1/2+y,1/2-x,1/4+z' '1/2+x,1/2-y,1/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Li 0.07050 0.19530 0.50110 0.50000 0.05395 Al1 0.33230 0.12210 0.23840 0.33333 0.00241 Si1 0.33230 0.12210 0.23840 0.66667 0.00241 Al2 0.41780 0.41780 0.00000 0.33333 0.00279 Si2 0.41780 0.41780 0.00000 0.66667 0.00279 O1 0.44320 0.12070 0.39310 1.00000 0.02381 O2 0.12450 0.11590 0.29940 1.00000 0.01355 O3 0.36370 0.30460 0.14590 1.00000 0.02964 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Li 0.05618 0.07058 0.03525 -0.03745 0.02309 -0.03183 Al1 0.00346 0.00375 0.00000 0.00029 0.00070 -0.00105 Si1 0.00346 0.00375 0.00000 0.00029 0.00070 -0.00105 Al2 0.00317 0.00317 0.00212 -0.00086 -0.00175 0.00175 Si2 0.00317 0.00317 0.00212 -0.00086 -0.00175 0.00175 O1 0.02939 0.02622 0.01571 -0.00634 -0.01539 0.00280 O2 0.00893 0.02305 0.00849 0.00173 0.00000 -0.00210 O3 0.03716 0.02305 0.02888 0.00173 0.01154 0.01154