data_global _chemical_name_mineral 'Kyanite' loop_ _publ_author_name 'Yang H' 'Downs R T' 'Finger L W' 'Hazen R M' 'Prewitt C T' _journal_name_full 'American Mineralogist' _journal_volume 82 _journal_year 1997 _journal_page_first 467 _journal_page_last 474 _publ_section_title ; Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 2.54 GPa ; _database_code_amcsd 0001894 _chemical_formula_sum 'Al2 Si O5' _cell_length_a 7.0896 _cell_length_b 7.8173 _cell_length_c 5.5497 _cell_angle_alpha 90.031 _cell_angle_beta 101.098 _cell_angle_gamma 105.987 _cell_volume 289.680 _exptl_crystal_density_diffrn 3.716 _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 _atom_site_U_iso_or_equiv Al1 0.32450 0.70380 0.45720 0.00532 Al2 0.29730 0.69900 0.95070 0.00481 Al3 0.09970 0.38620 0.64080 0.00507 Al4 0.11160 0.91700 0.16420 0.00532 Si1 0.29640 0.06460 0.70570 0.00456 Si2 0.29180 0.33220 0.19060 0.00494 O1 0.10960 0.14770 0.13080 0.00659 O2 0.12230 0.68380 0.17860 0.00519 O3 0.27620 0.45520 0.95560 0.00494 O4 0.28380 0.93680 0.93720 0.00659 O5 0.10820 0.15180 0.66790 0.00545 O6 0.12160 0.63120 0.64000 0.00684 O7 0.28170 0.44520 0.42910 0.00747 O8 0.29230 0.94800 0.46590 0.00570 O9 0.50050 0.27310 0.24400 0.00785 O10 0.50130 0.23150 0.75530 0.00735