data_global _chemical_name_mineral 'Potassic-ferro-taramite' loop_ _publ_author_name 'Oberti R' 'Boiocchi M' 'Smith D C' 'Medenbach O' 'Helmers H' _journal_name_full 'European Journal of Mineralogy' _journal_volume 20 _journal_year 2008 _journal_page_first 1005 _journal_page_last 1010 _publ_section_title ; Potassic-aluminotaramite from Sierra de los Filabres, Spain ; _database_code_amcsd 0007271 _chemical_compound_source 'Sierra de los Filabres, Spain' _chemical_formula_sum 'Na1.33 K.96 Ca1.14 Fe3.27 Mg.33 Al3.26 Ti.06 Mn.1 Si6 O24 H2' _cell_length_a 9.8505 _cell_length_b 18.0075 _cell_length_c 5.3518 _cell_angle_alpha 90 _cell_angle_beta 104.775 _cell_angle_gamma 90 _cell_volume 917.928 _exptl_crystal_density_diffrn 3.456 _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 0.01811 KA 0.00000 0.50000 0.00000 0.36000 0.01811 NaAm 0.03500 0.50000 0.07650 0.13000 0.02153 KAm 0.03500 0.50000 0.07650 0.25000 0.02153 NaA2 0.00000 0.46250 0.00000 0.02000 0.02660 KA2 0.00000 0.46250 0.00000 0.05000 0.02660 CaM4 0.00000 0.28190 0.50000 0.57000 0.00937 NaM4 0.00000 0.28190 0.50000 0.42000 0.00937 Fe2+M4 0.00000 0.28190 0.50000 0.01000 0.00937 MgM1 0.00000 0.09190 0.50000 0.15000 0.00722 FeM1 0.00000 0.09190 0.50000 0.85000 0.00722 AlM2 0.00000 0.18050 0.00000 0.63000 0.00671 Fe2+M2 0.00000 0.18050 0.00000 0.11000 0.00671 Fe3+M2 0.00000 0.18050 0.00000 0.23000 0.00671 TiM2 0.00000 0.18050 0.00000 0.03000 0.00671 MgM3 0.00000 0.00000 0.00000 0.03000 0.00697 Fe2+M3 0.00000 0.00000 0.00000 0.87000 0.00697 MnM3 0.00000 0.00000 0.00000 0.10000 0.00697 SiT1 0.27690 0.08800 0.30270 0.50000 0.00583 AlT1 0.27690 0.08800 0.30270 0.50000 0.00583 SiT2 0.29170 0.17420 0.81720 1.00000 0.00570 O1 0.10200 0.09590 0.20720 1.00000 0.00950 O2 0.12040 0.17740 0.74760 1.00000 0.00874 O3 0.10990 0.00000 0.70810 1.00000 0.01102 O4 0.37120 0.25110 0.79950 1.00000 0.00950 O5 0.35170 0.13740 0.10490 1.00000 0.01077 O6 0.33930 0.12000 0.60570 1.00000 0.01127 O7 0.32820 0.00000 0.29220 1.00000 0.01545 H 0.19200 0.00000 0.74900 1.00000 0.01393 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 0.00873 0.03450 0.01275 0.00000 0.00400 0.00000 KA 0.00873 0.03450 0.01275 0.00000 0.00400 0.00000 NaAm 0.01930 0.03286 0.01289 0.00000 0.00250 0.00000 KAm 0.01930 0.03286 0.01289 0.00000 0.00250 0.00000 NaA2 0.02436 0.00164 0.05087 0.00000 0.00974 0.00000 KA2 0.02436 0.00164 0.05087 0.00000 0.00974 0.00000 CaM4 0.01195 0.00821 0.00963 0.00000 0.00599 0.00000 NaM4 0.01195 0.00821 0.00963 0.00000 0.00599 0.00000 Fe2+M4 0.01195 0.00821 0.00963 0.00000 0.00599 0.00000 MgM1 0.00965 0.00821 0.00475 0.00000 0.00325 0.00000 FeM1 0.00965 0.00821 0.00475 0.00000 0.00325 0.00000 AlM2 0.00735 0.00657 0.00719 0.00000 0.00200 0.00000 Fe2+M2 0.00735 0.00657 0.00719 0.00000 0.00200 0.00000 Fe3+M2 0.00735 0.00657 0.00719 0.00000 0.00200 0.00000 TiM2 0.00735 0.00657 0.00719 0.00000 0.00200 0.00000 MgM3 0.00965 0.00493 0.00556 0.00000 0.00125 0.00000 Fe2+M3 0.00965 0.00493 0.00556 0.00000 0.00125 0.00000 MnM3 0.00965 0.00493 0.00556 0.00000 0.00125 0.00000 SiT1 0.00689 0.00657 0.00461 0.00000 0.00125 -0.00047 AlT1 0.00689 0.00657 0.00461 0.00000 0.00125 -0.00047 SiT2 0.00689 0.00493 0.00488 -0.00087 0.00175 -0.00047 O1 0.01011 0.01150 0.00787 -0.00087 0.00275 -0.00047 O2 0.00781 0.00986 0.00814 0.00000 0.00150 -0.00047 O3 0.01057 0.01150 0.01031 0.00000 0.00225 0.00000 O4 0.01333 0.00657 0.00868 -0.00174 0.00474 -0.00047 O5 0.00919 0.01314 0.00923 0.00000 0.00100 0.00519 O6 0.00965 0.01314 0.01180 0.00087 0.00275 -0.00425 O7 0.01333 0.01643 0.01628 0.00000 0.00300 0.00000