data_global _chemical_name_mineral 'Magnesiohogbomite-2N4S' loop_ _publ_author_name 'Shimura T' 'Akai J' 'Lazic B' 'Armbruster T' 'Shimizu M' 'Kamei A' 'Tsukada K' 'Owada M' 'Yuhara M' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 268 _journal_page_last 280 _publ_section_title ; Magnesiohogbomite-2N4S: A new polysome from the central Sor Rondane Mountains, East Antarctica ; _database_code_amcsd 0018746 _chemical_compound_source 'central Sor Rondane Mountains, East Antarctica' _chemical_formula_sum '(Mg4.217 Fe.783) Al11 Ti O24 H' _cell_length_a 5.71050 _cell_length_b 5.71050 _cell_length_c 27.6760 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 781.596 _exptl_crystal_density_diffrn 3.722 _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 _atom_site_U_iso_or_equiv MgT1 0.00000 0.00000 0.02080 0.79300 0.00651 FeT1 0.00000 0.00000 0.02080 0.20700 0.00651 AlM2 0.66667 0.33333 0.04250 1.00000 0.00468 MgT3 0.33333 0.66667 0.06323 0.85900 0.00606 FeT3 0.33333 0.66667 0.06323 0.14100 0.00606 AlM4 0.83320 0.66640 0.12649 1.00000 0.00475 MgT5 0.33333 0.66667 0.19014 0.84200 0.00648 FeT5 0.33333 0.66667 0.19014 0.15800 0.00648 AlM6 0.00000 0.00000 0.20999 1.00000 0.00497 MgT7 0.66667 0.33333 0.23366 0.83500 0.00609 FeT7 0.66667 0.33333 0.23366 0.16500 0.00609 AlM8 0.16800 0.83200 0.29508 1.00000 0.00577 TiM9 -0.33333 -0.66667 0.36293 1.00000 0.00564 MgT10 0.00000 0.00000 0.39699 0.88800 0.00489 FeT10 0.00000 0.00000 0.39699 0.11200 0.00489 AlM11 0.50243 0.49757 0.45795 1.00000 0.00628 O1 0.36710 0.18357 -0.00154 1.00000 0.00929 O2 0.33333 0.66667 -0.00701 1.00000 0.00820 O3 0.00000 0.00000 0.08999 1.00000 0.00630 O4 0.96276 0.48138 0.08711 1.00000 0.00549 O5 0.66667 0.33333 0.16339 1.00000 0.00670 O6 0.70270 0.85137 0.16542 1.00000 0.00547 O7 0.29670 0.14834 0.25303 1.00000 0.00868 O8 0.33333 0.66667 0.26033 1.00000 0.00700 O9 0.00000 0.00000 0.33088 1.00000 0.00860 O10 0.00110 0.50056 0.33104 1.00000 0.00893 O-H11 -0.66667 -0.33333 0.42227 1.00000 0.00900 O12 -0.64600 -0.82302 0.41775 1.00000 0.01043 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 MgT1 0.00661 0.00661 0.00630 0.00331 0.00000 0.00000 FeT1 0.00661 0.00661 0.00630 0.00331 0.00000 0.00000 AlM2 0.00496 0.00496 0.00410 0.00248 0.00000 0.00000 MgT3 0.00620 0.00620 0.00580 0.00310 0.00000 0.00000 FeT3 0.00620 0.00620 0.00580 0.00310 0.00000 0.00000 AlM4 0.00482 0.00438 0.00490 0.00219 -0.00020 -0.00040 MgT5 0.00650 0.00650 0.00650 0.00323 0.00000 0.00000 FeT5 0.00650 0.00650 0.00650 0.00323 0.00000 0.00000 AlM6 0.00506 0.00506 0.00480 0.00253 0.00000 0.00000 MgT7 0.00523 0.00523 0.00780 0.00261 0.00000 0.00000 FeT7 0.00523 0.00523 0.00780 0.00261 0.00000 0.00000 AlM8 0.00542 0.00542 0.00674 0.00291 0.00035 -0.00035 TiM9 0.00575 0.00575 0.00541 0.00288 0.00000 0.00000 MgT10 0.00480 0.00480 0.00520 0.00238 0.00000 0.00000 FeT10 0.00480 0.00480 0.00520 0.00238 0.00000 0.00000 AlM11 0.00640 0.00640 0.00639 0.00346 0.00016 -0.00016 O1 0.00920 0.00990 0.00860 0.00460 -0.00210 -0.00103 O2 0.00970 0.00970 0.00530 0.00490 0.00000 0.00000 O3 0.00560 0.00560 0.00780 0.00279 0.00000 0.00000 O4 0.00500 0.00520 0.00620 0.00252 0.00000 -0.00002 O5 0.00550 0.00550 0.00920 0.00274 0.00000 0.00000 O6 0.00460 0.00500 0.00670 0.00232 0.00010 0.00003 O7 0.01050 0.00880 0.00740 0.00520 -0.00280 -0.00142 O8 0.00740 0.00740 0.00610 0.00370 0.00000 0.00000 O9 0.00790 0.00790 0.01010 0.00393 0.00000 0.00000 O10 0.00870 0.00860 0.00950 0.00434 0.00240 0.00122 O-H11 0.01120 0.01120 0.00470 0.00560 0.00000 0.00000 O12 0.01300 0.01150 0.00720 0.00650 0.00000 0.00001