data_global _chemical_name_mineral 'Magnesiohogbomite-2N2S' loop_ _publ_author_name 'Gatehouse B M' 'Grey I E' _journal_name_full 'American Mineralogist' _journal_volume 67 _journal_year 1982 _journal_page_first 373 _journal_page_last 380 _publ_section_title ; The crystal structure of hogbomite-8H ; _database_code_amcsd 0000865 _chemical_formula_sum 'Al7.29 Fe2.21 Ti.5 Mg.7 Zn.3 O16 H' _cell_length_a 5.734 _cell_length_b 5.734 _cell_length_c 18.389 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 523.605 _exptl_crystal_density_diffrn 4.045 _symmetry_space_group_name_H-M 'P 63 m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x-y,x,1/2+z' '-y,-x,z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x,-y,1/2+z' 'x,x-y,z' '-x+y,-x,z' 'y,x,1/2+z' 'y,-x+y,1/2+z' '-x+y,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al1 0.67200 0.83600 0.94270 1.00000 Fe2 0.00000 0.00000 0.79900 0.15000 Fe2 0.00000 0.00000 0.79900 0.35000 Ti2 0.00000 0.00000 0.79900 0.50000 Al3 0.66667 0.33333 0.85290 0.35000 Fe3 0.66667 0.33333 0.85290 0.40000 Mg3 0.66667 0.33333 0.85290 0.25000 Al4 0.00390 0.50190 0.69820 0.93000 Fe4 0.00390 0.50190 0.69820 0.07000 Al5 0.66667 0.33333 0.56860 1.00000 Fe6 0.33333 0.66667 0.53830 0.60000 Mg6 0.33333 0.66667 0.53830 0.20000 Zn6 0.33333 0.66667 0.53830 0.15000 Al6 0.33333 0.66667 0.53830 0.05000 Fe7 0.00000 0.00000 0.60590 0.50000 Mg7 0.00000 0.00000 0.60590 0.25000 Zn7 0.00000 0.00000 0.60590 0.15000 Al7 0.00000 0.00000 0.60590 0.10000 O1 0.00000 0.00000 0.99740 1.00000 O2 0.03980 0.51990 0.99940 1.00000 O-H3 0.33333 0.66667 0.88760 1.00000 O4 0.84620 0.69240 0.88390 1.00000 O5 0.66667 0.33333 0.75090 1.00000 O6 0.66220 0.83110 0.75100 1.00000 O7 0.33333 0.66667 0.64520 1.00000 O8 0.81260 0.62510 0.63420 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 Al1 0.00370 0.00370 0.00520 0.00120 0.00050 -0.00050 Fe2 0.00230 0.00230 0.00270 0.00110 0.00000 0.00000 Fe2 0.00230 0.00230 0.00270 0.00110 0.00000 0.00000 Ti2 0.00230 0.00230 0.00270 0.00110 0.00000 0.00000 Al3 0.00540 0.00540 0.00500 0.00270 0.00000 0.00000 Fe3 0.00540 0.00540 0.00500 0.00270 0.00000 0.00000 Mg3 0.00540 0.00540 0.00500 0.00270 0.00000 0.00000 Al4 0.00220 0.00220 0.00280 0.00060 0.00060 -0.00060 Fe4 0.00220 0.00220 0.00280 0.00060 0.00060 -0.00060 Al5 0.00490 0.00490 0.00470 0.00250 0.00000 0.00000 Fe6 0.00530 0.00530 0.00510 0.00260 0.00000 0.00000 Mg6 0.00530 0.00530 0.00510 0.00260 0.00000 0.00000 Zn6 0.00530 0.00530 0.00510 0.00260 0.00000 0.00000 Al6 0.00530 0.00530 0.00510 0.00260 0.00000 0.00000 Fe7 0.00550 0.00550 0.00720 0.00280 0.00000 0.00000 Mg7 0.00550 0.00550 0.00720 0.00280 0.00000 0.00000 Zn7 0.00550 0.00550 0.00720 0.00280 0.00000 0.00000 Al7 0.00550 0.00550 0.00720 0.00280 0.00000 0.00000 O1 0.00610 0.00610 0.01020 0.00300 0.00000 0.00000 O2 0.00440 0.00440 0.00700 0.00120 -0.00050 0.00050 O-H3 0.00830 0.00830 0.00320 0.00420 0.00000 0.00000 O4 0.01410 0.01410 0.00580 0.01260 0.00030 -0.00030 O5 0.00780 0.00780 0.01160 0.00390 0.00000 0.00000 O6 0.00760 0.00760 0.00710 0.00410 -0.00160 0.00160 O7 0.00590 0.00590 0.00600 0.00300 0.00000 0.00000 O8 0.00960 0.00960 0.00800 0.00610 0.00200 -0.00200