data_global _chemical_name_mineral 'Kyanite' loop_ _publ_author_name 'Winter J K' 'Ghose S' _journal_name_full 'American Mineralogist' _journal_volume 64 _journal_year 1979 _journal_page_first 573 _journal_page_last 586 _publ_section_title ; Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs T = 600 deg C ; _database_code_amcsd 0000735 _chemical_formula_sum 'Al2 Si O5' _cell_length_a 7.1582 _cell_length_b 7.8821 _cell_length_c 5.6089 _cell_angle_alpha 89.90 _cell_angle_beta 101.21 _cell_angle_gamma 105.98 _cell_volume 297.980 _exptl_crystal_density_diffrn 3.612 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al1 0.32630 0.70420 0.45860 Al2 0.29780 0.69900 0.95070 Al3 0.10010 0.38580 0.64050 Al4 0.11310 0.91850 0.16590 Si1 0.29610 0.06500 0.70680 Si2 0.29080 0.33140 0.18930 O1 0.11010 0.14690 0.12910 O2 0.12390 0.68680 0.18170 O3 0.27440 0.45420 0.95600 O4 0.28300 0.93580 0.93410 O5 0.10900 0.15240 0.66730 O6 0.12290 0.63000 0.63960 O7 0.28140 0.44380 0.42800 O8 0.29160 0.94830 0.46700 O9 0.50040 0.27550 0.24430 O10 0.50110 0.23030 0.75500 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 Al1 0.00921 0.01595 0.01284 0.00465 -0.00094 0.00168 Al2 0.01266 0.01160 0.01330 0.00568 -0.00056 -0.00021 Al3 0.01105 0.01015 0.01682 0.00491 0.00038 0.00126 Al4 0.01174 0.01044 0.01605 0.00620 0.00019 0.00211 Si1 0.00759 0.00870 0.01315 0.00413 -0.00038 0.00021 Si2 0.00806 0.00870 0.01238 0.00439 -0.00131 -0.00021 O1 0.01128 0.00986 0.01972 0.00336 -0.00169 0.00042 O2 0.01082 0.01073 0.01361 0.00465 -0.00075 0.00063 O3 0.01450 0.01189 0.01529 0.00517 -0.00094 0.00126 O4 0.01496 0.01160 0.01697 0.00620 0.00263 0.00316 O5 0.01197 0.01189 0.01881 0.00723 0.00131 0.00211 O6 0.01059 0.01189 0.01376 0.00439 -0.00075 0.00000 O7 0.01427 0.01334 0.01728 0.00543 0.00244 -0.00126 O8 0.01473 0.01508 0.01407 0.00672 -0.00075 -0.00232 O9 0.01151 0.01566 0.01514 0.00749 -0.00019 0.00105 O10 0.01082 0.01276 0.01651 0.00258 0.00000 0.00000