data_global _chemical_name_mineral 'Andalusite' loop_ _publ_author_name 'Burt J B' 'Ross N L' 'Angel R J' 'Koch M' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 319 _journal_page_last 326 _publ_section_title ; Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 3.129 GPa ; _database_code_amcsd 0004117 _chemical_compound_source 'Minas Gerais, Brazil' _chemical_formula_sum 'Al2 Si O5' _cell_length_a 7.7186 _cell_length_b 7.8467 _cell_length_c 5.5329 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 335.103 _exptl_crystal_density_diffrn 3.212 _symmetry_space_group_name_H-M 'P n n m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '-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 0.00000 0.00000 0.24182 0.00379 Al2 0.36990 0.13831 0.50000 0.00407 Si 0.24660 0.25083 0.00000 0.00372 OA 0.42030 0.36310 0.50000 0.00418 OB 0.42720 0.36010 0.00000 0.00405 OC 0.10200 0.39980 0.00000 0.00899 OD 0.22960 0.13146 0.23940 0.00557