data_global _chemical_name_mineral 'Jadeite' loop_ _publ_author_name 'Prewitt C T' 'Burnham C W' _journal_name_full 'American Mineralogist' _journal_volume 51 _journal_year 1966 _journal_page_first 956 _journal_page_last 975 _publ_section_title ; The crystal structure of jadeite, NaAlSi2O6 ; _database_code_amcsd 147 _chemical_formula_sum 'Na Al Si2 O6' _cell_length_a 9.418 _cell_length_b 8.562 _cell_length_c 5.219 _cell_angle_alpha 90.0 _cell_angle_beta 107.58 _cell_angle_gamma 90.0 _cell_volume 401.189 _exptl_crystal_density_diffrn 3.347 _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 Na 0.0 0.3009 0.25 Al 0.0 0.094 0.75 Si 0.2906 0.0934 0.2277 O1 0.109 0.0763 0.1275 O2 0.3608 0.263 0.2929 O3 0.3533 0.007 0.0058 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 Na 0.01429 0.00966 0.00928 0.0 -0.00045 0.0 Al 0.00531 0.00557 0.00439 0.0 0.00113 0.0 Si 0.00449 0.00631 0.00451 0.0 0.00136 -0.00022 O1 0.00163 0.00743 0.00401 -0.00156 0.0 -0.00151 O2 0.00408 0.00743 0.00589 -0.00156 0.0 0.00043 O3 0.00531 0.00817 0.00514 -0.00117 0.00204 0.0