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 = 0.001 kbar, in air ; _database_code_amcsd 0001887 _chemical_formula_sum 'Si Al2 O5' _cell_length_a 7.124 _cell_length_b 7.856 _cell_length_c 5.577 _cell_angle_alpha 89.99 _cell_angle_beta 101.15 _cell_angle_gamma 105.95 _cell_volume 293.978 _exptl_crystal_density_diffrn 3.661 _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 0.29630 0.06490 0.70670 0.00400 Si2 0.29100 0.33180 0.18920 0.00380 Al1 0.32540 0.70420 0.45820 0.00470 Al2 0.29740 0.69880 0.95050 0.00460 Al3 0.09970 0.38610 0.64050 0.00450 Al4 0.11200 0.91740 0.16480 0.00470 O1 0.10940 0.14690 0.12880 0.00540 O2 0.12310 0.68550 0.18150 0.00490 O3 0.27500 0.45460 0.95460 0.00580 O4 0.28320 0.93560 0.93570 0.00560 O5 0.10830 0.15210 0.66660 0.00520 O6 0.12210 0.63060 0.63900 0.00510 O7 0.28230 0.44520 0.42880 0.00580 O8 0.29140 0.94690 0.46590 0.00580 O9 0.50070 0.27510 0.24470 0.00550 O10 0.50120 0.23100 0.75610 0.00530