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 = 3.73 GPa ; _database_code_amcsd 0001895 _chemical_formula_sum 'Al2 Si O5' _cell_length_a 7.0750 _cell_length_b 7.8027 _cell_length_c 5.5367 _cell_angle_alpha 90.063 _cell_angle_beta 101.091 _cell_angle_gamma 105.985 _cell_volume 287.868 _exptl_crystal_density_diffrn 3.739 _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 0.32410 0.70340 0.45600 0.00519 Al2 0.29850 0.69940 0.95240 0.00456 Al3 0.10010 0.38660 0.64130 0.00431 Al4 0.11240 0.91760 0.16520 0.00456 Si1 0.29590 0.06500 0.70540 0.00418 Si2 0.29190 0.33210 0.19100 0.00481 O1 0.10850 0.14780 0.12990 0.00671 O2 0.12130 0.68370 0.17800 0.00633 O3 0.27630 0.45510 0.95470 0.00545 O4 0.28380 0.93660 0.93760 0.00443 O5 0.10830 0.15220 0.66710 0.00633 O6 0.12030 0.63100 0.64000 0.00431 O7 0.28220 0.44560 0.42920 0.00608 O8 0.29250 0.94790 0.46570 0.00545 O9 0.50110 0.27300 0.24390 0.00608 O10 0.50120 0.23270 0.75550 0.00595