data_global _chemical_name_mineral 'Zincostaurolite' loop_ _publ_author_name 'Chopin C' 'Goffe B' 'Ungaretti L' 'Oberti R' _journal_name_full 'European Journal of Mineralogy' _journal_volume 15 _journal_year 2003 _journal_page_first 167 _journal_page_last 176 _publ_section_title ; Magnesiostaurolite and zincostaurolite: mineral description with a petrogenetic and crystal-chemical update ; _database_code_amcsd 0006962 _chemical_formula_sum 'Al4.483 Ti.005 Mg.047 Fe.082 Si2 Zn.613 Li.127 O12 H.918' _cell_length_a 7.853 _cell_length_b 16.534 _cell_length_c 5.639 _cell_angle_alpha 90 _cell_angle_beta 90.00 _cell_angle_gamma 90 _cell_volume 732.176 _exptl_crystal_density_diffrn 3.783 _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 AlM1A 0.50000 0.17360 0.00000 1.00000 0.00646 AlM1B 0.50000 0.17360 0.50000 1.00000 0.00684 AlM2 0.26330 0.41040 0.25020 0.99750 0.00785 TiM2 0.26330 0.41040 0.25020 0.00250 0.00785 AlM3A 0.00000 0.00000 0.00000 0.48750 0.00608 MgM3A 0.00000 0.00000 0.00000 0.02250 0.00608 AlM3B 0.00000 0.00000 0.50000 0.48750 0.00494 MgM3B 0.00000 0.00000 0.50000 0.02250 0.00494 FeM4A 0.50000 0.00000 0.00000 0.03250 0.00608 MgM4A 0.50000 0.00000 0.00000 0.02500 0.00608 FeM4B 0.50000 0.00000 0.50000 0.03250 0.01216 MgM4B 0.50000 0.00000 0.50000 0.02500 0.01216 SiT1 0.13410 0.16650 0.25000 1.00000 0.00545 ZnT2 0.38910 0.00000 0.24960 0.61250 0.01317 LiT2 0.38910 0.00000 0.24960 0.12750 0.01317 FeT2 0.38910 0.00000 0.24960 0.05000 0.01317 O-H1A 0.23370 0.00000 0.96700 0.45875 0.00899 O1A 0.23370 0.00000 0.96700 0.54125 0.00899 O-H1B 0.23420 0.00000 0.53210 0.45875 0.00861 O1B 0.23420 0.00000 0.53210 0.54125 0.00861 O2A 0.25510 0.16160 0.01530 1.00000 0.00671 O2B 0.25520 0.16170 0.48480 1.00000 0.00697 O3 0.00180 0.08900 0.24930 1.00000 0.00887 O4 0.02140 0.24980 0.25000 1.00000 0.00633 O5 0.52710 0.09880 0.25020 1.00000 0.00659 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 AlM1A 0.00562 0.00692 0.00660 0.00000 0.00112 0.00000 AlM1B 0.00562 0.00831 0.00709 0.00000 0.00112 0.00000 AlM2 0.00531 0.00831 0.00967 -0.00066 0.00090 0.00000 TiM2 0.00531 0.00831 0.00967 -0.00066 0.00090 0.00000 AlM3A 0.00344 0.00692 0.00805 0.00000 0.00269 0.00000 MgM3A 0.00344 0.00692 0.00805 0.00000 0.00269 0.00000 AlM3B 0.00375 0.00554 0.00548 0.00000 -0.00022 0.00000 MgM3B 0.00375 0.00554 0.00548 0.00000 -0.00022 0.00000 SiT1 0.00375 0.00554 0.00660 0.00000 0.00090 0.00000 ZnT2 0.01000 0.00692 0.02207 0.00000 0.00090 0.00000 LiT2 0.01000 0.00692 0.02207 0.00000 0.00090 0.00000 FeT2 0.01000 0.00692 0.02207 0.00000 0.00090 0.00000 O-H1A 0.00844 0.00692 0.01208 0.00000 0.00314 0.00000 O1A 0.00844 0.00692 0.01208 0.00000 0.00314 0.00000 O-H1B 0.00844 0.00692 0.01095 0.00000 -0.00045 0.00000 O1B 0.00844 0.00692 0.01095 0.00000 -0.00045 0.00000 O2A 0.00562 0.00831 0.00644 0.00000 0.00090 -0.00094 O2B 0.00594 0.00831 0.00725 0.00000 0.00067 0.00047 O3 0.00437 0.00831 0.01450 -0.00066 0.00090 0.00000 O4 0.00562 0.00692 0.00693 0.00132 0.00179 0.00000 O5 0.00437 0.00831 0.00725 0.00000 0.00135 0.00000