data_global _chemical_name_mineral 'Potassic-fluoro-pargasite' loop_ _publ_author_name 'Oberti R' 'Boiocchi M' 'Hawthorne F C' 'Pagano R' 'Pagano A' _journal_name_full 'Mineralogical Magazine' _journal_volume 74 _journal_year 2010 _journal_page_first 961 _journal_page_last 967 _publ_section_title ; Fluoro-potassic-pargasite, KCa2(Mg4Al)(Si6Al2)O22F2, from the Tranomaro area, Madagascar: mineral description and crystal chemistry ; _database_code_amcsd 0018305 _chemical_compound_source 'Tranomaro area, Madagascar' _chemical_formula_sum 'K.691 Na.281 Ca2.03 Mg3.64 Fe.51 Al2.99 Ti.05 Mn.01 Si5.8 O22.74 F1.26 H.74' _cell_length_a 9.9104 _cell_length_b 17.9739 _cell_length_c 5.3205 _cell_angle_alpha 90 _cell_angle_beta 105.534 _cell_angle_gamma 90 _cell_volume 913.114 _exptl_crystal_density_diffrn 3.153 _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 KA 0.00000 0.50000 0.00000 0.23300 0.03610 NaA 0.00000 0.50000 0.00000 0.09500 0.03610 CaA 0.00000 0.50000 0.00000 0.01000 0.03610 KAm 0.02690 0.50000 0.05420 0.20600 0.03356 NaAm 0.02690 0.50000 0.05420 0.08300 0.03356 CaAm 0.02690 0.50000 0.05420 0.00900 0.03356 KA2 0.00000 0.53690 0.00000 0.02300 0.02216 NaA2 0.00000 0.53690 0.00000 0.01000 0.02216 CaA2 0.00000 0.53690 0.00000 0.00100 0.02216 CaM4 0.00000 0.28080 0.50000 1.00000 0.00899 MgM1 0.00000 0.08990 0.50000 0.93000 0.00798 Fe2+M1 0.00000 0.08990 0.50000 0.07000 0.00798 MgM2 0.00000 0.17610 0.00000 0.42500 0.00697 AlM2 0.00000 0.17610 0.00000 0.39500 0.00697 Fe2+M2 0.00000 0.17610 0.00000 0.02000 0.00697 Fe3+M2 0.00000 0.17610 0.00000 0.13500 0.00697 TiM2 0.00000 0.17610 0.00000 0.02500 0.00697 MgM3 0.00000 0.00000 0.00000 0.93000 0.00760 Fe2+M3 0.00000 0.00000 0.00000 0.06000 0.00760 Mn2+M3 0.00000 0.00000 0.00000 0.01000 0.00760 SiT1 0.27840 0.08630 0.30650 0.50000 0.00633 AlT1 0.27840 0.08630 0.30650 0.50000 0.00633 SiT2 0.29060 0.17420 0.81720 0.95000 0.00671 AlT2 0.29060 0.17420 0.81720 0.05000 0.00671 O1 0.10390 0.08940 0.21590 1.00000 0.00988 O2 0.11880 0.17400 0.73680 1.00000 0.00950 F3 0.10550 0.00000 0.71370 0.63000 0.01089 O3 0.10550 0.00000 0.71370 0.37000 0.01089 O4 0.36790 0.25170 0.79330 1.00000 0.01153 O5 0.35040 0.14030 0.11520 1.00000 0.01178 O6 0.34380 0.11890 0.61200 1.00000 0.01229 O7 0.33610 0.00000 0.29140 1.00000 0.01570 H 0.16600 0.00000 0.75100 0.37000 0.01267 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 KA 0.04342 0.03273 0.04992 0.00000 0.04215 0.00000 NaA 0.04342 0.03273 0.04992 0.00000 0.04215 0.00000 CaA 0.04342 0.03273 0.04992 0.00000 0.04215 0.00000 KAm 0.03972 0.02782 0.04659 0.00000 0.03422 0.00000 NaAm 0.03972 0.02782 0.04659 0.00000 0.03422 0.00000 CaAm 0.03972 0.02782 0.04659 0.00000 0.03422 0.00000 CaM4 0.01016 0.00818 0.00985 0.00000 0.00471 0.00000 MgM1 0.00878 0.00818 0.00639 0.00000 0.00273 0.00000 Fe2+M1 0.00878 0.00818 0.00639 0.00000 0.00273 0.00000 MgM2 0.00693 0.00655 0.00666 0.00000 0.00198 0.00000 AlM2 0.00693 0.00655 0.00666 0.00000 0.00198 0.00000 Fe2+M2 0.00693 0.00655 0.00666 0.00000 0.00198 0.00000 Fe3+M2 0.00693 0.00655 0.00666 0.00000 0.00198 0.00000 TiM2 0.00693 0.00655 0.00666 0.00000 0.00198 0.00000 MgM3 0.00831 0.00818 0.00612 0.00000 0.00124 0.00000 Fe2+M3 0.00831 0.00818 0.00612 0.00000 0.00124 0.00000 Mn2+M3 0.00831 0.00818 0.00612 0.00000 0.00124 0.00000 SiT1 0.00600 0.00655 0.00612 -0.00087 0.00124 0.00000 AlT1 0.00600 0.00655 0.00612 -0.00087 0.00124 0.00000 SiT2 0.00647 0.00818 0.00612 0.00000 0.00198 0.00047 AlT2 0.00647 0.00818 0.00612 0.00000 0.00198 0.00047 O1 0.00924 0.01309 0.00799 -0.00261 0.00273 -0.00187 O2 0.00785 0.00982 0.00958 0.00000 0.00099 0.00047 F3 0.01062 0.01146 0.01052 0.00000 0.00273 0.00000 O3 0.01062 0.01146 0.01052 0.00000 0.00273 0.00000 O4 0.01478 0.00982 0.01171 -0.00087 0.00595 0.00000 O5 0.01062 0.01309 0.01025 0.00000 0.00124 0.00327 O6 0.01062 0.01309 0.01291 0.00087 0.00322 -0.00373 O7 0.01339 0.01309 0.01984 0.00000 0.00298 0.00000