data_global _chemical_name_mineral 'Magnesiotaaffeite-6N3S' loop_ _publ_author_name 'Nuber B' 'Schmetzer K' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1983 _journal_year 1983 _journal_page_first 393 _journal_page_last 402 _publ_section_title ; Crystal structure of ternary Be-Mg-Al oxides: taaffeite, BeMg3Al8O16, and musgravite, BeMg2Al6O12 Note: formerly known as musgravite-18R ; _database_code_amcsd 0014775 _chemical_compound_source 'Musgrave Ranges, Australia' _chemical_formula_sum '(Mg1.63 Fe.37) Al6 Be O12' _cell_length_a 5.683 _cell_length_b 5.683 _cell_length_c 41.13 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1150.389 _exptl_crystal_density_diffrn 3.665 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 Mg1 0.33333 0.66667 0.12020 0.94000 0.00430 Fe1 0.33333 0.66667 0.12020 0.06000 0.00430 Mg2 0.66667 0.33333 0.01370 0.69000 0.00450 Fe2 0.66667 0.33333 0.01370 0.31000 0.00450 Al1 0.00000 0.00000 0.00000 1.00000 0.00560 Al2 0.16680 0.33360 0.05730 1.00000 0.00450 Al3 0.00000 0.50000 0.50000 1.00000 0.00480 Al4 0.66667 0.33333 0.09670 1.00000 0.00280 Be 0.00000 0.00000 0.12100 1.00000 0.00450 O1 0.29360 0.14680 0.02990 1.00000 0.00620 O2 0.33333 0.66667 0.03410 1.00000 0.00580 O3 0.49460 0.98920 0.08250 1.00000 0.00560 O4 0.00000 0.00000 0.08150 1.00000 0.00530 O5 0.14620 0.29240 0.14080 1.00000 0.00510 O6 0.66667 0.33333 0.14020 1.00000 0.00450