data_global _chemical_name_mineral 'Staurolite' loop_ _publ_author_name 'Comodi P' 'Montagnoli M' 'Zanazzi P F' 'Ballaran T B' _journal_name_full 'American Mineralogist' _journal_volume 87 _journal_year 2002 _journal_page_first 1164 _journal_page_last 1171 _publ_section_title ; Isothermal compression of staurolite: A single-crystal study Sample: P = 2.48 GPa ; _database_code_amcsd 0002885 _chemical_formula_sum 'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12' _cell_length_a 7.848 _cell_length_b 16.580 _cell_length_c 5.641 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 734.006 _exptl_crystal_density_diffrn 4.345 _symmetry_space_group_name_H-M 'C c m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,y,1/2+z' '1/2-x,1/2+y,1/2+z' 'x,-y,1/2-z' '1/2+x,1/2-y,1/2-z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+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 0.13330 0.16650 0.25000 0.94000 0.00610 AlT1 0.13330 0.16650 0.25000 0.06000 0.00610 FeT2 0.39270 0.00000 0.25000 0.84000 0.02100 LiT2 0.39270 0.00000 0.25000 0.03000 0.02100 ZnT2 0.39270 0.00000 0.25000 0.01000 0.02100 MnT2 0.39270 0.00000 0.25000 0.01000 0.02100 AlM1 0.50000 0.17550 0.00000 0.97000 0.00470 FeM1 0.50000 0.17550 0.00000 0.01000 0.00470 MgM1 0.50000 0.17550 0.00000 0.02000 0.00470 AlM2 0.26360 0.40990 0.25000 0.97000 0.00700 FeM2 0.26360 0.40990 0.25000 0.01000 0.00700 MgM2 0.26360 0.40990 0.25000 0.02000 0.00700 AlM3 0.00000 0.00000 0.00000 0.87000 0.00800 MgM3 0.00000 0.00000 0.00000 0.13000 0.00800 FeM4 0.50000 0.00000 0.00000 0.84000 0.00100 ZnM4 0.50000 0.00000 0.00000 0.01000 0.00100 LiM4 0.50000 0.00000 0.00000 0.03000 0.00100 MnM4 0.50000 0.00000 0.00000 0.01000 0.00100 O1 0.23420 0.00000 0.96600 1.00000 0.00900 O2 0.25440 0.16230 0.01500 1.00000 0.00500 O3 0.00210 0.08920 0.25000 1.00000 0.00500 O4 0.02190 0.24890 0.25000 1.00000 0.00400 O5 0.52630 0.10100 0.25000 1.00000 0.00600