data_global _chemical_name_mineral 'Potassic-ferro-ferri-sadanagaite' loop_ _publ_author_name 'Hawthorne F C' 'Harlow G E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 46 _journal_year 2008 _journal_page_first 151 _journal_page_last 162 _publ_section_title ; The crystal chemistry of Al-rich amphiboles: sadanagaite and potassic-ferrisadanagaite ; _database_code_amcsd 0006161 _chemical_compound_source 'Ilmen alkaline massif, South Urals, Russia' _chemical_formula_sum 'K.62 Na.6 Ca1.72 Mg.68 Fe3.11 Mn.26 Al3.62 Ti.21 Zn.02 Si5.1 O23.7 F.3 H1.7' _cell_length_a 9.9257 _cell_length_b 18.0917 _cell_length_c 5.3709 _cell_angle_alpha 90 _cell_angle_beta 105.19 _cell_angle_gamma 90 _cell_volume 930.771 _exptl_crystal_density_diffrn 3.391 _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 KAm 0.02223 0.50000 0.04661 0.05000 0.01770 KAm* 0.06500 0.50000 0.13100 0.26000 0.01770 NaA2 0.00000 0.47950 0.00000 0.16000 0.01770 CaM4 0.00000 0.28249 0.50000 0.86000 0.01080 NaM4 0.00000 0.28249 0.50000 0.14000 0.01080 MgM1 0.00000 0.09139 0.50000 0.18500 0.00660 Fe2+M1 0.00000 0.09139 0.50000 0.77500 0.00660 MnM1 0.00000 0.09139 0.50000 0.04000 0.00660 AlM2 0.00000 0.17959 0.00000 0.36000 0.00400 Fe3+M2 0.00000 0.17959 0.00000 0.42000 0.00400 TiM2 0.00000 0.17959 0.00000 0.10500 0.00400 ZnM2 0.00000 0.17959 0.00000 0.01000 0.00400 MgM2 0.00000 0.17959 0.00000 0.10500 0.00400 MgM3 0.00000 0.00000 0.00000 0.10000 0.00560 Fe2+M3 0.00000 0.00000 0.00000 0.72000 0.00560 MnM3 0.00000 0.00000 0.00000 0.18000 0.00560 SiT1 0.27785 0.08708 0.30453 0.47000 0.01051 AlT1 0.27785 0.08708 0.30453 0.53000 0.01051 SiT2 0.29168 0.17379 0.81893 0.80500 0.00879 AlT2 0.29168 0.17379 0.81893 0.19500 0.00879 O1 0.10290 0.09398 0.20990 1.00000 0.01240 O2 0.11870 0.17763 0.74490 1.00000 0.01190 O-h3 0.11010 0.00000 0.71060 0.85000 0.01330 F3 0.11010 0.00000 0.71060 0.15000 0.01330 O4 0.37150 0.25126 0.79540 1.00000 0.01230 O5 0.35180 0.13948 0.11360 1.00000 0.01280 O6 0.34060 0.11902 0.60820 1.00000 0.01380 O7 0.33000 0.00000 0.28780 1.00000 0.01760 H 0.21060 0.00000 0.74000 0.85000 0.01599 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 CaM4 0.01250 0.01030 0.01100 0.00000 0.00550 0.00000 NaM4 0.01250 0.01030 0.01100 0.00000 0.00550 0.00000 MgM1 0.00820 0.00810 0.00420 0.00000 0.00260 0.00000 Fe2+M1 0.00820 0.00810 0.00420 0.00000 0.00260 0.00000 MnM1 0.00820 0.00810 0.00420 0.00000 0.00260 0.00000 AlM2 0.00430 0.00370 0.00380 0.00000 0.00090 0.00000 Fe3+M2 0.00430 0.00370 0.00380 0.00000 0.00090 0.00000 TiM2 0.00430 0.00370 0.00380 0.00000 0.00090 0.00000 ZnM2 0.00430 0.00370 0.00380 0.00000 0.00090 0.00000 MgM2 0.00430 0.00370 0.00380 0.00000 0.00090 0.00000 MgM3 0.00750 0.00440 0.00450 0.00000 0.00080 0.00000 Fe2+M3 0.00750 0.00440 0.00450 0.00000 0.00080 0.00000 MnM3 0.00750 0.00440 0.00450 0.00000 0.00080 0.00000 SiT1 0.01070 0.01060 0.00990 -0.00070 0.00200 -0.00020 AlT1 0.01070 0.01060 0.00990 -0.00070 0.00200 -0.00020 SiT2 0.00940 0.00930 0.00750 -0.00020 0.00200 0.00010 AlT2 0.00940 0.00930 0.00750 -0.00020 0.00200 0.00010 O1 0.01180 0.01390 0.01130 -0.00050 0.00270 -0.00060 O2 0.01130 0.01290 0.01050 0.00090 0.00130 0.00030 O-h3 0.01130 0.01560 0.01290 0.00000 0.00280 0.00000 F3 0.01130 0.01560 0.01290 0.00000 0.00280 0.00000 O4 0.01440 0.01140 0.01230 -0.00030 0.00560 -0.00020 O5 0.01130 0.01470 0.01210 -0.00050 0.00240 0.00290 O6 0.01170 0.01470 0.01490 0.00170 0.00330 -0.00330 O7 0.01580 0.01400 0.02250 0.00000 0.00410 0.00000