data_global _chemical_name_mineral 'Staurolite' loop_ _publ_author_name 'Bringhurst K N' 'Griffen D T' _journal_name_full 'American Mineralogist' _journal_volume 71 _journal_year 1986 _journal_page_first 1466 _journal_page_last 1472 _publ_section_title ; Staurolite-lusakite series. II. Crystal structure and optical properties of a cobaltoan staurolite Note: a-cell parameter corrected by Griffen, Aug 2001. ; _database_code_amcsd 0001058 _chemical_formula_sum 'Fe.513 Al4.486 Co.138 Ti.032 Zn.01 Si1.864 Mg.308 Mn.01 (O12 H)' _cell_length_a 7.872 _cell_length_b 16.608 _cell_length_c 5.648 _cell_angle_alpha 90 _cell_angle_beta 90.04 _cell_angle_gamma 90 _cell_volume 738.409 _exptl_crystal_density_diffrn 3.719 _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 Fe 0.39090 0.00000 0.24950 0.40800 ? Al 0.39090 0.00000 0.24950 0.36000 ? Co 0.39090 0.00000 0.24950 0.13800 ? Ti 0.39090 0.00000 0.24950 0.03200 ? Zn 0.39090 0.00000 0.24950 0.01000 ? Si 0.13420 0.16630 0.24960 0.93200 ? Al 0.13420 0.16630 0.24960 0.05500 ? Al1A 0.50000 0.17470 0.00000 0.88800 ? Mg1A 0.50000 0.17470 0.00000 0.08000 ? Al1B 0.50000 0.17470 0.50000 0.88800 ? Mg1B 0.50000 0.17470 0.50000 0.07800 ? Al2 0.26330 0.41030 0.25040 1.00000 ? Al3A 0.00000 0.00000 0.00000 0.28000 ? Mg3A 0.00000 0.00000 0.00000 0.15000 ? Fe3A 0.00000 0.00000 0.00000 0.05000 ? Al3B 0.00000 0.00000 0.50000 0.20000 ? Mg3B 0.00000 0.00000 0.50000 0.15000 ? Fe3B 0.00000 0.00000 0.50000 0.05000 ? FeU1 0.50000 0.00000 0.00000 0.06000 0.01350 MnU1 0.50000 0.00000 0.00000 0.01000 0.01350 FeU2 0.50000 0.00000 0.50000 0.05000 0.01170 MnU2 0.50000 0.00000 0.50000 0.01000 0.01170 O-H1A 0.23450 0.00000 0.96420 1.00000 ? O1B 0.23510 0.00000 0.53560 1.00000 ? O2A 0.25500 0.16140 0.01520 1.00000 ? O2B 0.25470 0.16140 0.48390 1.00000 ? O3 0.00150 0.08910 0.24880 1.00000 ? O4 0.02110 0.24930 0.24980 1.00000 ? O5 0.52710 0.09930 0.24990 1.00000 ? 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 Fe 0.01620 0.00570 0.02330 0.00000 0.00020 0.00000 Al 0.01620 0.00570 0.02330 0.00000 0.00020 0.00000 Co 0.01620 0.00570 0.02330 0.00000 0.00020 0.00000 Ti 0.01620 0.00570 0.02330 0.00000 0.00020 0.00000 Zn 0.01620 0.00570 0.02330 0.00000 0.00020 0.00000 Si 0.00240 0.00230 0.00410 0.00010 0.00020 0.00000 Al 0.00240 0.00230 0.00410 0.00010 0.00020 0.00000 Al1A 0.00260 0.00290 0.00250 0.00000 0.00010 0.00000 Mg1A 0.00260 0.00290 0.00250 0.00000 0.00010 0.00000 Al1B 0.00240 0.00290 0.00210 0.00000 0.00040 0.00000 Mg1B 0.00240 0.00290 0.00210 0.00000 0.00040 0.00000 Al2 0.00380 0.00390 0.00710 0.00010 0.00010 0.00010 Al3A 0.00470 0.00430 0.00790 0.00000 0.00240 0.00000 Mg3A 0.00470 0.00430 0.00790 0.00000 0.00240 0.00000 Fe3A 0.00470 0.00430 0.00790 0.00000 0.00240 0.00000 Al3B 0.00330 0.00370 0.00820 0.00000 -0.00260 0.00000 Mg3B 0.00330 0.00370 0.00820 0.00000 -0.00260 0.00000 Fe3B 0.00330 0.00370 0.00820 0.00000 -0.00260 0.00000 O-H1A 0.01270 0.00630 0.01250 0.00000 0.00310 0.00000 O1B 0.01340 0.00650 0.01160 0.00000 -0.00250 0.00000 O2A 0.00590 0.00790 0.00810 -0.00070 0.00060 -0.00020 O2B 0.00560 0.00790 0.00760 -0.00070 0.00020 0.00040 O3 0.00560 0.00670 0.01500 0.00060 0.00000 -0.00010 O4 0.00710 0.00590 0.00750 0.00100 0.00010 0.00010 O5 0.00540 0.00640 0.00690 -0.00030 -0.00010 0.00020