data_global _chemical_name_mineral 'Staurolite' loop_ _publ_author_name 'Caucia F' 'Callegari A' 'Oberti R' 'Ungaretti L' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 32 _journal_year 1994 _journal_page_first 477 _journal_page_last 489 _publ_section_title ; Structural aspects of oxidation-dehydrogenation in staurolite Sample: T = 900 C ; _database_code_amcsd 0005377 _chemical_formula_sum 'Si1.9 Al4.8 Fe.83 Zn.01 Mg.19 O12 H' _cell_length_a 7.860 _cell_length_b 16.645 _cell_length_c 5.606 _cell_angle_alpha 90 _cell_angle_beta 90.00 _cell_angle_gamma 90 _cell_volume 733.431 _exptl_crystal_density_diffrn 3.872 _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 0.13490 0.16817 0.24998 0.95000 0.00532 AlT1 0.13490 0.16817 0.24998 0.05000 0.00532 FeT2 0.38022 0.00000 0.25007 0.40000 0.00747 ZnT2 0.38022 0.00000 0.25007 0.01000 0.00747 MgT2 0.38022 0.00000 0.25007 0.08000 0.00747 AlT2 0.38022 0.00000 0.25007 0.18000 0.00747 FeT3 0.12589 0.00000 0.25012 0.09000 0.00633 AlT3 0.12589 0.00000 0.25012 0.20000 0.00633 AlM1A 0.50000 0.17339 0.00000 0.97000 0.00532 FeM1A 0.50000 0.17339 0.00000 0.03000 0.00532 AlM1B 0.50000 0.17338 0.50000 0.97000 0.00532 FeM1B 0.50000 0.17338 0.50000 0.03000 0.00532 AlM2 0.26421 0.41261 0.24999 0.92000 0.00722 FeM2 0.26421 0.41261 0.24999 0.08000 0.00722 AlM3A 0.00000 0.00000 0.00000 0.54000 0.00608 MgM3A 0.00000 0.00000 0.00000 0.04000 0.00608 FeM3A 0.00000 0.00000 0.00000 0.06000 0.00608 AlM3B 0.00000 0.00000 0.50000 0.54000 0.00608 MgM3B 0.00000 0.00000 0.50000 0.04000 0.00608 FeM3B 0.00000 0.00000 0.50000 0.06000 0.00608 FeM4A 0.50000 0.00000 0.00000 0.06000 0.01115 MgM4A 0.50000 0.00000 0.00000 0.07000 0.01115 FeM4B 0.50000 0.00000 0.50000 0.06000 0.01153 MgM4B 0.50000 0.00000 0.50000 0.07000 0.01153 O1A 0.23849 0.00000 0.97081 0.50000 0.01127 O-H1A 0.23849 0.00000 0.97081 0.50000 0.01127 O1B 0.23862 0.00000 0.52906 0.50000 0.01102 O-H1B 0.23862 0.00000 0.52906 0.50000 0.01102 O2A 0.25573 0.16200 0.01427 1.00000 0.00608 O2B 0.25572 0.16198 0.48573 1.00000 0.00608 O3 0.00353 0.09094 0.24983 1.00000 0.00899 O4 0.02112 0.25059 0.25013 1.00000 0.00583 O5 0.52428 0.09755 0.25002 1.00000 0.00659