data_global _chemical_name_mineral 'Magnesiohogbomite-2N3S' loop_ _publ_author_name 'Hejny C' 'Armbruster T' _journal_name_full 'American Mineralogist' _journal_volume 87 _journal_year 2002 _journal_page_first 277 _journal_page_last 292 _publ_section_title ; Polysomatism in hogbomite: The crystal structures of 10T, 12H, 14T and 24R polysomes Note: Signs of x,y-coordinates of Fe7/Mg7 changed. Sample: 10T ; _database_code_amcsd 0002754 _chemical_formula_sum 'Al9 Fe2.89 Mg1.61 Ti.5 O20 H' _cell_length_a 5.722 _cell_length_b 5.722 _cell_length_c 23.026 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 652.897 _exptl_crystal_density_diffrn 4.010 _symmetry_space_group_name_H-M 'P -3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,-x+y,-z' '-x,-x+y,-z' '-x+y,-x,z' '-x+y,y,z' '-x,-y,-z' 'y,x,-z' '-y,x-y,z' 'x,x-y,z' 'x-y,x,-z' 'x-y,-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 Al1 0.00000 0.00000 0.00000 1.00000 0.01020 Fe2 0.33333 -0.33333 -0.02563 0.77000 0.00730 Mg2 0.33333 -0.33333 -0.02563 0.23000 0.00730 Al3 0.33840 0.16920 -0.10125 1.00000 0.00960 Fe4 0.33333 -0.33333 -0.17360 0.67000 0.00530 Mg4 0.33333 -0.33333 -0.17360 0.33000 0.00530 Ti5 -0.33333 -0.66667 -0.21608 0.50000 0.00730 Fe5 -0.33333 -0.66667 -0.21608 0.45000 0.00730 Mg5 -0.33333 -0.66667 -0.21608 0.05000 0.00730 Al6 0.16460 0.32910 -0.29653 1.00000 0.00590 Fe7 0.33333 0.66667 0.37083 0.43000 0.00710 Mg7 0.33333 0.66667 0.37083 0.57000 0.00710 Al8 -0.33333 -0.66667 0.39920 1.00000 0.00800 Fe9 0.00000 0.00000 0.42401 0.57000 0.00820 Mg9 0.00000 0.00000 0.42401 0.43000 0.00820 Al10 0.00000 0.50000 0.50000 1.00000 0.00790 O1 -0.29650 -0.14830 -0.05350 1.00000 0.00890 O2 -0.33333 -0.66667 -0.05870 1.00000 0.01100 O3 0.51140 -0.51140 -0.14880 1.00000 0.01220 O4 0.00000 0.00000 0.14430 1.00000 0.01100 O5 -0.16420 0.16420 -0.25410 1.00000 0.00970 O6 0.33333 -0.33333 -0.25380 1.00000 0.01400 O7 0.48090 -0.48090 -0.34720 1.00000 0.01040 O8 0.00000 0.00000 -0.33920 1.00000 0.00900 O9 -0.18580 0.18580 0.45290 1.00000 0.00930 O10 0.33333 -0.33333 0.45570 1.00000 0.00700 H 0.00000 0.00000 0.18100 1.00000 0.08000