data_global _chemical_name_mineral 'Eucryptite' loop_ _publ_author_name 'Daniels P' 'Fyfe C A' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 279 _journal_page_last 283 _publ_section_title ; Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4) Not the correct model ; _database_code_amcsd 0002631 _chemical_formula_sum 'Li (Si Al) O4' _cell_length_a 13.532 _cell_length_b 13.532 _cell_length_c 9.044 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1434.218 _exptl_crystal_density_diffrn 2.626 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li 0.02040 0.81320 0.75150 1.00000 Si1 0.53030 0.88076 0.74951 0.50000 Al1 0.53030 0.88076 0.74951 0.50000 Si2 0.87526 0.34430 0.91608 0.50000 Al2 0.87526 0.34430 0.91608 0.50000 O1 0.75930 0.21310 0.89440 1.00000 O2 0.73290 0.19930 0.58460 1.00000 O3 0.10050 0.88430 0.94130 1.00000 O4 0.65920 0.00260 0.74950 1.00000 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 0.02200 0.01700 0.02200 0.00700 -0.00200 0.00200 Si1 0.01080 0.01060 0.00940 0.00560 -0.00020 -0.00030 Al1 0.01080 0.01060 0.00940 0.00560 -0.00020 -0.00030 Si2 0.01070 0.00970 0.00950 0.00500 -0.00040 0.00000 Al2 0.01070 0.00970 0.00950 0.00500 -0.00040 0.00000 O1 0.01970 0.01330 0.01080 0.00760 0.00220 0.00110 O2 0.01190 0.01050 0.01790 0.00370 0.00070 -0.00010 O3 0.01450 0.01410 0.01190 0.00590 -0.00200 -0.00160 O4 0.01300 0.01760 0.01480 0.01000 0.00000 0.00010