data_global _chemical_name_mineral 'Alumino-magnesiotaramite' loop_ _publ_author_name 'Oberti R' 'Boiocchi M' 'Smith D C' 'Medenbach O' _journal_name_full 'American Mineralogist' _journal_volume 92 _journal_year 2007 _journal_page_first 1428 _journal_page_last 1435 _publ_section_title ; Aluminotaramite, alumino-magnesiotaramite, and fluoro-alumino-magnesiotaramite: Mineral data and crystal chemistry Sample: Q99-3 ; _database_code_amcsd 0004420 _chemical_compound_source 'Liset kyanite-eclogite pod, Vestlandet, Norway' _chemical_formula_sum 'Na1.79 Ca1.22 Fe1.4 Mg2.42 Al3.12 Ti.04 Si6.08 O24 H2' _cell_length_a 9.7899 _cell_length_b 17.8991 _cell_length_c 5.3192 _cell_angle_alpha 90 _cell_angle_beta 104.900 _cell_angle_gamma 90 _cell_volume 900.745 _exptl_crystal_density_diffrn 3.207 _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 NaA 0.00000 0.50000 0.00000 0.19000 0.04053 NaAm 0.04010 0.50000 0.09800 0.12000 0.03166 NaA2 0.00000 0.47030 0.00000 0.32000 0.02913 CaM4 0.00000 0.28060 0.50000 0.61000 0.00975 NaM4 0.00000 0.28060 0.50000 0.36000 0.00975 Fe2+M4 0.00000 0.28060 0.50000 0.03000 0.00975 MgM1 0.00000 0.09010 0.50000 0.79000 0.00697 Fe2+M1 0.00000 0.09010 0.50000 0.21000 0.00697 MgM2 0.00000 0.17820 0.00000 0.13000 0.00684 AlM2 0.00000 0.17820 0.00000 0.60000 0.00684 Fe2+M2 0.00000 0.17820 0.00000 0.10000 0.00684 Fe3+M2 0.00000 0.17820 0.00000 0.15000 0.00684 TiM2 0.00000 0.17820 0.00000 0.02000 0.00684 MgM3 0.00000 0.00000 0.00000 0.58000 0.00633 Fe2+M3 0.00000 0.00000 0.00000 0.42000 0.00633 SiT1 0.28090 0.08690 0.30210 0.52000 0.00557 AlT1 0.28090 0.08690 0.30210 0.48000 0.00557 SiT2 0.29210 0.17400 0.81580 1.00000 0.00545 O1 0.10470 0.09200 0.21160 1.00000 0.00925 O2 0.11960 0.17430 0.74270 1.00000 0.00861 O3 0.10960 0.00000 0.70940 1.00000 0.00899 O4 0.36870 0.25200 0.79440 1.00000 0.00925 O5 0.35350 0.13990 0.10900 1.00000 0.01102 O6 0.34250 0.11780 0.60940 1.00000 0.01115 O7 0.33810 0.00000 0.27640 1.00000 0.01381 H 0.19780 0.00000 0.76400 1.00000 0.01013 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 NaA 0.03038 0.05518 0.04203 0.00000 0.02193 0.00000 NaAm 0.02766 0.05031 0.01901 0.00000 0.01183 0.00000 NaA2 0.02539 0.02272 0.04350 0.00000 0.01971 0.00000 CaM4 0.01088 0.00974 0.01058 0.00000 0.00542 0.00000 NaM4 0.01088 0.00974 0.01058 0.00000 0.00542 0.00000 Fe2+M4 0.01088 0.00974 0.01058 0.00000 0.00542 0.00000 MgM1 0.00816 0.00812 0.00549 0.00000 0.00222 0.00000 Fe2+M1 0.00816 0.00812 0.00549 0.00000 0.00222 0.00000 MgM2 0.00635 0.00649 0.00736 0.00000 0.00172 0.00000 AlM2 0.00635 0.00649 0.00736 0.00000 0.00172 0.00000 Fe2+M2 0.00635 0.00649 0.00736 0.00000 0.00172 0.00000 Fe3+M2 0.00635 0.00649 0.00736 0.00000 0.00172 0.00000 TiM2 0.00635 0.00649 0.00736 0.00000 0.00172 0.00000 MgM3 0.00771 0.00487 0.00576 0.00000 0.00123 0.00000 Fe2+M3 0.00771 0.00487 0.00576 0.00000 0.00123 0.00000 SiT1 0.00499 0.00649 0.00576 -0.00086 0.00074 -0.00047 AlT1 0.00499 0.00649 0.00576 -0.00086 0.00074 -0.00047 SiT2 0.00544 0.00487 0.00562 -0.00086 0.00123 0.00000 O1 0.00816 0.01136 0.00843 -0.00172 0.00222 -0.00093 O2 0.00635 0.00974 0.00910 0.00086 0.00099 0.00000 O3 0.00680 0.00974 0.00977 0.00000 0.00936 0.00000 O4 0.01179 0.00649 0.00991 -0.00172 0.00493 0.00047 O5 0.00862 0.01298 0.00991 -0.00086 0.00025 0.00513 O6 0.00816 0.01298 0.01285 0.00000 0.00271 -0.00513 O7 0.01088 0.01623 0.01539 0.00000 0.00419 0.00000