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 = 37 kbar ; _database_code_amcsd 0001890 _chemical_formula_sum 'Si Al2 O5' _cell_length_a 7.065 _cell_length_b 7.805 _cell_length_c 5.537 _cell_angle_alpha 90.12 _cell_angle_beta 101.08 _cell_angle_gamma 105.86 _cell_volume 287.743 _exptl_crystal_density_diffrn 3.741 _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 0.29900 0.06600 0.70800 0.00340 Si2 0.29300 0.33190 0.18920 0.00260 Al1 0.32800 0.70510 0.46000 0.00550 Al2 0.29700 0.69890 0.94950 0.00400 Al3 0.10200 0.38670 0.64090 0.00410 Al4 0.11300 0.91840 0.16530 0.00530 O1 0.10900 0.14800 0.13000 0.01100 O2 0.12800 0.68500 0.18100 0.00300 O3 0.27600 0.45400 0.95100 0.00500 O4 0.28300 0.93300 0.93500 0.00800 O5 0.11300 0.15200 0.66600 0.00200 O6 0.11500 0.62900 0.63800 0.01200 O7 0.28400 0.44400 0.42900 0.01200 O8 0.29200 0.94600 0.46500 0.00400 O9 0.50400 0.27500 0.24500 0.01000 O10 0.49900 0.23200 0.75300 0.00100