data_global _chemical_name_mineral 'Magnesiotaaffeite-2N2S' 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 taaffeite-8H ; _database_code_amcsd 0014777 _chemical_compound_source 'Miriella Village, Ratnapura, Sri Lanka' _chemical_formula_sum 'Mg3 Al8 Be O16' _cell_length_a 5.6867 _cell_length_b 5.6867 _cell_length_c 18.3370 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 513.546 _exptl_crystal_density_diffrn 3.581 _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_U_iso_or_equiv Mg1 0.00000 0.00000 0.00000 0.00560 Mg2 0.00000 0.00000 0.20090 0.00220 Mg3 0.66667 0.33333 0.26660 0.00190 Al1 0.33333 0.66667 -0.04940 0.00490 Al2 0.33300 0.16650 -0.13920 0.00520 Al3 0.99760 0.49880 0.10650 0.00520 Al4 0.33333 0.66667 0.23250 0.00500 Be 0.66667 0.33333 0.00420 0.00520 O1 0.00000 0.00000 -0.19170 0.00610 O2 0.51780 0.03560 -0.20080 0.00720 O3 0.66667 0.33333 -0.08480 0.00590 O4 0.16220 0.32440 -0.08250 0.00570 O5 0.33333 0.66667 0.04790 0.00440 O6 0.37020 0.18510 0.04750 0.00480 O7 0.66667 0.33333 0.16250 0.00620 O8 0.18540 0.37070 0.16590 0.00530