data_global _chemical_name_mineral 'Staurolite' loop_ _publ_author_name 'Oberti R' 'Hawthorne F C' 'Zanetti A' 'Ottolini L' _journal_name_full 'The Canadian Mineralogist' _journal_volume 34 _journal_year 1996 _journal_page_first 1051 _journal_page_last 1057 _publ_section_title ; Crystal-structure refinement of a highly ordered staurolite ; _database_code_amcsd 0005514 _chemical_formula_sum 'Si4 Fe.69 Zn1.2 Mg.68 Al8.4 Ti.04 O24' _cell_length_a 7.877 _cell_length_b 16.609 _cell_length_c 5.665 _cell_angle_alpha 90 _cell_angle_beta 90.68 _cell_angle_gamma 90 _cell_volume 741.095 _exptl_crystal_density_diffrn 3.847 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv SiT1 0.13379 0.16615 0.24544 1.00000 0.00380 FeT2 0.38950 0.00000 0.23730 0.34000 0.00811 ZnT2 0.38950 0.00000 0.23730 0.60000 0.00811 MgT2 0.38950 0.00000 0.23730 0.06000 0.00811 Al1a 0.50000 0.17458 0.00000 0.91000 0.00266 Mg1a 0.50000 0.17458 0.00000 0.09000 0.00266 Al1b 0.50000 0.17502 0.50000 0.91000 0.00380 Mg1b 0.50000 0.17502 0.50000 0.09000 0.00380 Al2 0.26292 0.41040 0.25527 0.97000 0.00481 Mg2 0.26292 0.41040 0.25527 0.02000 0.00481 Ti2 0.26292 0.41040 0.25527 0.01000 0.00481 Al3a 0.00000 0.00000 0.00000 0.44000 0.00532 Mg3a 0.00000 0.00000 0.00000 0.06000 0.00532 Al3b 0.00000 0.00000 0.50000 0.44000 0.02140 Mg3b 0.00000 0.00000 0.50000 0.06000 0.02140 FeM4 0.50000 0.00000 0.00000 0.01000 0.01102 O1a 0.23322 0.00000 0.95742 1.00000 0.00722 O1b 0.23857 0.00000 0.52372 1.00000 0.00659 O2a 0.25648 0.16152 0.01521 1.00000 0.00519 O2b 0.25231 0.16101 0.48307 1.00000 0.00595 O3 0.00126 0.08935 0.23690 1.00000 0.00595 O4 0.02272 0.24946 0.24778 1.00000 0.00621 O5 0.52685 0.09893 0.24905 1.00000 0.00545