data_global _chemical_name_mineral 'Mangani-obertiite' loop_ _publ_author_name 'Hawthorne F C' 'Cooper M A' 'Grice J D' 'Ottolini L' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 236 _journal_page_last 241 _publ_section_title ; A new anhydrous amphibole from the Eifel region, Germany: Description and crystal structure of obertiite, NaNa2(Mg3FeTi)Si8O22O2 Note: M1A and M1 are interchanged in the bond length table Note: IMA name change from obertiite to ferri-obertiite to mangani-obertiite ; _database_code_amcsd 0002347 _chemical_compound_source 'Eifel region, Germany' _chemical_formula_sum 'O24 Si8 Ti.86 Mn.37 Mg2.13 Fe.71 Al.03 Na2.66 Ca2 K.18' _cell_length_a 9.776 _cell_length_b 17.919 _cell_length_c 5.292 _cell_angle_alpha 90 _cell_angle_beta 104.05 _cell_angle_gamma 90 _cell_volume 899.299 _exptl_crystal_density_diffrn 3.363 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 O1 0.11360 0.08580 0.21760 1.00000 ? O2 0.11700 0.16520 0.72490 1.00000 ? O3 0.10340 0.00000 0.70610 1.00000 ? O4 0.35780 0.25080 0.79950 1.00000 ? O5 0.34970 0.12760 0.08050 1.00000 ? O6 0.34610 0.12000 0.57980 1.00000 ? O7 0.34340 0.00000 0.29960 1.00000 ? SiT1 0.28360 0.08524 0.29410 1.00000 ? SiT2 0.28830 0.17078 0.79850 1.00000 ? Ti1A 0.00000 0.07880 0.50000 0.43000 ? Mn1A 0.00000 0.07880 0.50000 0.18500 ? Mg1 0.00000 0.09100 0.50000 0.38500 ? Mg2 0.00000 0.18172 0.00000 0.66000 ? Fe2 0.00000 0.18172 0.00000 0.32500 ? Al2 0.00000 0.18172 0.00000 0.01500 ? Mg3 0.00000 0.00000 0.00000 0.04000 ? Na4 0.00000 0.27380 0.50000 0.92000 ? Fe4 0.00000 0.27380 0.50000 0.03000 ? Ca4 0.00000 0.27380 0.50000 1.00000 ? KAm 0.04800 0.50000 0.10100 0.09000 0.02000 NaAm 0.04800 0.50000 0.10100 0.19000 0.02000 NaA2 0.00000 0.48860 0.00000 0.22000 0.02000 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 O1 0.00620 0.00470 0.00910 0.00000 0.00070 0.00050 O2 0.00520 0.01280 0.00400 0.00000 0.00010 -0.00070 O3 0.00540 0.01270 0.00430 0.00000 0.00210 0.00000 O4 0.01150 0.00680 0.01110 0.00120 0.00050 -0.00360 O5 0.00690 0.01300 0.00750 0.00490 0.00300 -0.00080 O6 0.00840 0.01050 0.00660 -0.00460 0.00030 -0.00010 O7 0.00990 0.00870 0.01380 0.00000 0.00510 0.00000 SiT1 0.00580 0.00550 0.00500 -0.00040 0.00130 0.00080 SiT2 0.00510 0.00630 0.00400 0.00030 0.00010 -0.00080 Ti1A 0.00940 0.00940 0.00470 0.00000 0.00020 0.00000 Mn1A 0.00940 0.00940 0.00470 0.00000 0.00020 0.00000 Mg1 0.00940 0.00940 0.00470 0.00000 0.00020 0.00000 Mg2 0.00770 0.00840 0.00690 0.00000 0.00240 0.00000 Fe2 0.00770 0.00840 0.00690 0.00000 0.00240 0.00000 Al2 0.00770 0.00840 0.00690 0.00000 0.00240 0.00000 Mg3 0.00680 0.00820 0.00810 0.00000 0.00070 0.00000 Na4 0.02400 0.01590 0.02530 0.00000 0.01600 0.00000 Fe4 0.02400 0.01590 0.02530 0.00000 0.01600 0.00000 Ca4 0.02400 0.01590 0.02530 0.00000 0.01600 0.00000