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: room pressure ; _database_code_amcsd 0002884 _chemical_formula_sum 'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12' _cell_length_a 7.886 _cell_length_b 16.659 _cell_length_c 5.671 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 745.016 _exptl_crystal_density_diffrn 4.281 _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 0.13406 0.16600 0.25000 0.94000 0.00720 AlT1 0.13406 0.16600 0.25000 0.06000 0.00720 FeT2 0.39250 0.00000 0.25000 0.84000 0.01730 LiT2 0.39250 0.00000 0.25000 0.03000 0.01730 ZnT2 0.39250 0.00000 0.25000 0.01000 0.01730 MnT2 0.39250 0.00000 0.25000 0.01000 0.01730 AlM1 0.50000 0.17520 0.00000 0.97000 0.00770 FeM1 0.50000 0.17520 0.00000 0.01000 0.00770 MgM1 0.50000 0.17520 0.00000 0.02000 0.00770 AlM2 0.26330 0.41050 0.25000 0.97000 0.00860 FeM2 0.26330 0.41050 0.25000 0.01000 0.00860 MgM2 0.26330 0.41050 0.25000 0.02000 0.00860 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 0.02000 ZnM4 0.50000 0.00000 0.00000 0.01000 0.02000 LiM4 0.50000 0.00000 0.00000 0.03000 0.02000 MnM4 0.50000 0.00000 0.00000 0.01000 0.02000 O1 0.23490 0.00000 0.96580 1.00000 0.01050 O2 0.25500 0.16130 0.01530 1.00000 0.00840 O3 0.00160 0.08910 0.25000 1.00000 0.01070 O4 0.02130 0.24920 0.25000 1.00000 0.00860 O5 0.52680 0.10010 0.25000 1.00000 0.00830