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 = 700 C ; _database_code_amcsd 0005375 _chemical_formula_sum 'Si1.9 Al4.82 Fe.83 Mg.19 Zn.01 O12 H' _cell_length_a 7.867 _cell_length_b 16.619 _cell_length_c 5.625 _cell_angle_alpha 90 _cell_angle_beta 90.00 _cell_angle_gamma 90 _cell_volume 735.422 _exptl_crystal_density_diffrn 3.866 _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 0.13470 0.16720 0.25002 0.95000 0.00481 AlT1 0.13470 0.16720 0.25002 0.05000 0.00481 FeT2 0.38248 0.00000 0.25001 0.50000 0.01051 AlT2 0.38248 0.00000 0.25001 0.16000 0.01051 MgT2 0.38248 0.00000 0.25001 0.08000 0.01051 ZnT2 0.38248 0.00000 0.25001 0.01000 0.01051 FeT3 0.12508 0.00000 0.24989 0.06000 0.00557 AlT3 0.12508 0.00000 0.24989 0.11000 0.00557 AlM1A 0.50000 0.17407 0.00000 0.97000 0.00507 MgM1A 0.50000 0.17407 0.00000 0.01000 0.00507 FeM1A 0.50000 0.17407 0.00000 0.02000 0.00507 AlM1B 0.50000 0.17407 0.50000 0.97000 0.00519 MgM1B 0.50000 0.17407 0.50000 0.01000 0.00519 FeM1B 0.50000 0.17407 0.50000 0.02000 0.00519 AlM2 0.26365 0.41202 0.25000 0.94000 0.00684 FeM2 0.26365 0.41202 0.25000 0.06000 0.00684 AlM3A 0.00000 0.00000 0.00000 0.63000 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 0.63000 0.00621 MgM3B 0.00000 0.00000 0.50000 0.04000 0.00621 FeM3B 0.00000 0.00000 0.50000 0.06000 0.00621 FeM4A 0.50000 0.00000 0.00000 0.05000 0.01077 MgM4A 0.50000 0.00000 0.00000 0.05000 0.01077 FeM4B 0.50000 0.00000 0.50000 0.05000 0.01089 MgM4B 0.50000 0.00000 0.50000 0.05000 0.01089 O1A 0.23706 0.00000 0.96789 0.50000 0.01064 O-H1A 0.23706 0.00000 0.96789 0.50000 0.01064 O1B 0.23697 0.00000 0.53201 0.50000 0.01064 O-H1B 0.23697 0.00000 0.53201 0.50000 0.01064 O2A 0.25556 0.16179 0.01475 1.00000 0.00583 O2B 0.25553 0.16181 0.48524 1.00000 0.00583 O3 0.00258 0.09003 0.25000 1.00000 0.00874 O4 0.02143 0.24994 0.25002 1.00000 0.00570 O5 0.52524 0.09861 0.24996 1.00000 0.00595