data_global _chemical_name_mineral 'Potassic-pargasite' loop_ _publ_author_name 'Robinson G W' 'Grice J D' 'Gault R A' 'Lalonde A E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 35 _journal_year 1997 _journal_page_first 1535 _journal_page_last 1540 _publ_section_title ; Potassicpargasite, a new member of the amphibole group from Pargas, Turku-Pori, Finland ; _database_code_amcsd 0005538 _chemical_compound_source 'Pargas, Turku-Pori, Finland' _chemical_formula_sum 'Mg2.65 Fe1.65 Al2.36 Ti.1 Ca1.98 Na1.74 K2.16 Si6.24 O23.14 F.86 H.9' _cell_length_a 9.930 _cell_length_b 18.057 _cell_length_c 5.316 _cell_angle_alpha 90 _cell_angle_beta 105.37 _cell_angle_gamma 90 _cell_volume 919.099 _exptl_crystal_density_diffrn 3.583 _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 MgM1 0.00000 0.08992 0.50000 0.53000 ? FeM1 0.00000 0.08992 0.50000 0.33000 ? AlM1 0.00000 0.08992 0.50000 0.12000 ? TiM1 0.00000 0.08992 0.50000 0.02000 ? MgM2 0.00000 0.17721 0.00000 0.53000 ? FeM2 0.00000 0.17721 0.00000 0.33000 ? AlM2 0.00000 0.17721 0.00000 0.12000 ? TiM2 0.00000 0.17721 0.00000 0.02000 ? MgM3 0.00000 0.00000 0.00000 0.53000 ? FeM3 0.00000 0.00000 0.00000 0.33000 ? AlM3 0.00000 0.00000 0.00000 0.12000 ? TiM3 0.00000 0.00000 0.00000 0.02000 ? CaM4 0.00000 0.28025 0.50000 0.99000 ? NaM4 0.00000 0.28025 0.50000 0.01000 ? KAm 0.02610 0.50000 0.05200 0.54000 ? NaAm 0.02610 0.50000 0.05200 0.43000 ? KA2 0.00000 0.47400 0.00000 0.54000 0.04000 NaA2 0.00000 0.47400 0.00000 0.43000 0.04000 SiT1 0.27870 0.08573 0.30400 0.78000 ? AlT1 0.27870 0.08573 0.30400 0.22000 ? SiT2 0.29038 0.17323 0.81370 0.78000 ? AlT2 0.29038 0.17323 0.81370 0.22000 ? O1 0.10510 0.08910 0.21640 1.00000 ? O2 0.12010 0.17420 0.73290 1.00000 ? O3 0.10760 0.00000 0.71370 0.12000 ? O-H3 0.10760 0.00000 0.71370 0.45000 ? F3 0.10760 0.00000 0.71370 0.43000 ? O4 0.36730 0.25010 0.79190 1.00000 ? O5 0.34890 0.13890 0.10980 1.00000 ? O6 0.34410 0.11870 0.60780 1.00000 ? O7 0.33750 0.00000 0.29080 1.00000 ? 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 MgM1 0.01100 0.01110 0.00850 0.00000 0.00350 0.00000 FeM1 0.01100 0.01110 0.00850 0.00000 0.00350 0.00000 AlM1 0.01100 0.01110 0.00850 0.00000 0.00350 0.00000 TiM1 0.01100 0.01110 0.00850 0.00000 0.00350 0.00000 MgM2 0.00730 0.00690 0.00720 0.00000 0.00200 0.00000 FeM2 0.00730 0.00690 0.00720 0.00000 0.00200 0.00000 AlM2 0.00730 0.00690 0.00720 0.00000 0.00200 0.00000 TiM2 0.00730 0.00690 0.00720 0.00000 0.00200 0.00000 MgM3 0.00970 0.00770 0.00740 0.00000 0.00160 0.00000 FeM3 0.00970 0.00770 0.00740 0.00000 0.00160 0.00000 AlM3 0.00970 0.00770 0.00740 0.00000 0.00160 0.00000 TiM3 0.00970 0.00770 0.00740 0.00000 0.00160 0.00000 CaM4 0.01250 0.00980 0.01280 0.00000 0.00590 0.00000 NaM4 0.01250 0.00980 0.01280 0.00000 0.00590 0.00000 KAm 0.04590 0.03510 0.06510 0.00000 0.04640 0.00000 NaAm 0.04590 0.03510 0.06510 0.00000 0.04640 0.00000 SiT1 0.00910 0.00990 0.00920 -0.00080 0.00180 0.00040 AlT1 0.00910 0.00990 0.00920 -0.00080 0.00180 0.00040 SiT2 0.00760 0.00890 0.00790 0.00050 0.00210 0.00070 AlT2 0.00760 0.00890 0.00790 0.00050 0.00210 0.00070 O1 0.00950 0.01580 0.00920 -0.00310 0.00220 -0.00280 O2 0.00820 0.01210 0.01210 0.00080 0.00110 0.00100 O3 0.01670 0.01680 0.01740 0.00000 0.00470 0.00000 O-H3 0.01670 0.01680 0.01740 0.00000 0.00470 0.00000 F3 0.01670 0.01680 0.01740 0.00000 0.00470 0.00000 O4 0.01540 0.01000 0.01300 -0.00130 0.00640 0.00070 O5 0.01030 0.01520 0.01260 0.00020 0.00100 0.00340 O6 0.01110 0.01550 0.01370 0.00060 0.00260 -0.00370 O7 0.01540 0.01060 0.02070 0.00000 0.00320 0.00000