data_global _chemical_name_mineral 'Kyanite' loop_ _publ_author_name 'Comodi P' 'Zanazzi P F' 'Poli S' 'Schmidt M W' _journal_name_full 'American Mineralogist' _journal_volume 82 _journal_year 1997 _journal_page_first 452 _journal_page_last 459 _publ_section_title ; High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 25.4 kbar ; _database_code_amcsd 0001889 _chemical_formula_sum 'Si Al2 O5' _cell_length_a 7.079 _cell_length_b 7.824 _cell_length_c 5.547 _cell_angle_alpha 90.13 _cell_angle_beta 101.00 _cell_angle_gamma 105.98 _cell_volume 289.439 _exptl_crystal_density_diffrn 3.719 _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 Si1 0.29800 0.06600 0.70730 0.00250 Si2 0.29200 0.33160 0.18950 0.00310 Al1 0.32600 0.70430 0.45920 0.00370 Al2 0.29900 0.69920 0.95060 0.00450 Al3 0.10300 0.38660 0.64030 0.00360 Al4 0.11200 0.91810 0.16520 0.00370 O1 0.10800 0.14800 0.13200 0.00600 O2 0.12900 0.68700 0.18400 0.00300 O3 0.27200 0.45500 0.95600 0.00400 O4 0.28300 0.93600 0.93600 0.00400 O5 0.11000 0.15100 0.66500 0.00800 O6 0.11800 0.63100 0.63800 0.00400 O7 0.28500 0.44600 0.42900 0.00400 O8 0.29200 0.94700 0.46500 0.00600 O9 0.49900 0.27500 0.24500 0.00400 O10 0.49800 0.23200 0.75400 0.00400