data_global _chemical_name_mineral 'Staurolite' loop_ _publ_author_name 'Hawthorne F C' 'Oberti R' 'Ungaretti L' 'Caucia F' 'Callegari A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 32 _journal_year 1994 _journal_page_first 491 _journal_page_last 495 _publ_section_title ; Crystal-structure refinement of hydrogen-rich staurolite Sample: S(44) ; _database_code_amcsd 0005380 _chemical_formula_sum 'Si1.92 Al4.48 Fe.77 Mg.1 Li.07 O12 H' _cell_length_a 7.861 _cell_length_b 16.610 _cell_length_c 5.649 _cell_angle_alpha 90 _cell_angle_beta 90.18 _cell_angle_gamma 90 _cell_volume 737.593 _exptl_crystal_density_diffrn 3.726 _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 0.13421 0.16628 0.24856 0.96000 0.00380 AlT1 0.13421 0.16628 0.24856 0.04000 0.00380 FeT2 0.39548 0.00000 0.24864 0.65000 0.01368 MgT2 0.39548 0.00000 0.24864 0.05000 0.01368 LiT2 0.39548 0.00000 0.24864 0.07000 0.01368 AlM1a 0.50000 0.17497 0.00000 0.98000 0.00456 MgM1a 0.50000 0.17497 0.00000 0.02000 0.00456 AlM1b 0.50000 0.17433 0.50000 0.98000 0.00456 MgM1b 0.50000 0.17433 0.50000 0.02000 0.00456 AlM2 0.26448 0.41009 0.25166 0.99000 0.00545 FeM2 0.26448 0.41009 0.25166 0.01000 0.00545 AlM3a 0.00000 0.00000 0.00000 0.46000 0.00532 MgM3a 0.00000 0.00000 0.00000 0.01000 0.00532 AlM3b 0.00000 0.00000 0.50000 0.46000 0.00545 MgM3b 0.00000 0.00000 0.50000 0.01000 0.00545 FeM4a 0.50000 0.00000 0.00000 0.10000 0.00874 FeM4b 0.50000 0.00000 0.50000 0.10000 0.00874 O1a 0.23274 0.00000 0.96383 0.50000 0.00773 O-H1a 0.23274 0.00000 0.96383 0.50000 0.00773 O1b 0.23511 0.00000 0.53346 0.50000 0.00823 O-H1b 0.23511 0.00000 0.53346 0.50000 0.00823 O2a 0.25550 0.16183 0.01473 1.00000 0.00532 O2b 0.25483 0.16142 0.48408 1.00000 0.00532 O3 0.00222 0.08912 0.24540 1.00000 0.00798 O4 0.02126 0.24948 0.25018 1.00000 0.00507 O5 0.52773 0.10014 0.24911 1.00000 0.00507