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 = 5.43 GPa ; _database_code_amcsd 0002887 _chemical_formula_sum 'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12' _cell_length_a 7.814 _cell_length_b 16.480 _cell_length_c 5.617 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 723.328 _exptl_crystal_density_diffrn 4.409 _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 0.13420 0.16670 0.25000 0.94000 0.00600 AlT1 0.13420 0.16670 0.25000 0.06000 0.00600 FeT2 0.39260 0.00000 0.25000 0.84000 0.01600 LiT2 0.39260 0.00000 0.25000 0.03000 0.01600 ZnT2 0.39260 0.00000 0.25000 0.01000 0.01600 MnT2 0.39260 0.00000 0.25000 0.01000 0.01600 AlM1 0.50000 0.17570 0.00000 0.97000 0.00800 FeM1 0.50000 0.17570 0.00000 0.01000 0.00800 MgM1 0.50000 0.17570 0.00000 0.02000 0.00800 AlM2 0.26310 0.41030 0.25000 0.97000 0.00900 FeM2 0.26310 0.41030 0.25000 0.01000 0.00900 MgM2 0.26310 0.41030 0.25000 0.02000 0.00900 AlM3 0.00000 0.00000 0.00000 0.87000 0.00900 MgM3 0.00000 0.00000 0.00000 0.13000 0.00900 FeM4 0.50000 0.00000 0.00000 0.84000 0.06000 ZnM4 0.50000 0.00000 0.00000 0.01000 0.06000 LiM4 0.50000 0.00000 0.00000 0.03000 0.06000 MnM4 0.50000 0.00000 0.00000 0.01000 0.06000 O1 0.23500 0.00000 0.96800 1.00000 0.00900 O2 0.25580 0.16300 0.01400 1.00000 0.00300 O3 0.00100 0.08700 0.25000 1.00000 0.00300 O4 0.01800 0.24700 0.25000 1.00000 0.00700 O5 0.52700 0.10000 0.25000 1.00000 0.00600