data_global _chemical_name_mineral 'Pargasite' loop_ _publ_author_name 'Hawthorne F C' 'Oberti R' 'Ungaretti L' 'Grice J D' _journal_name_full 'American Mineralogist' _journal_volume 81 _journal_year 1996 _journal_page_first 995 _journal_page_last 1002 _publ_section_title ; A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from Pargas, Finland Sample: BMS ; _database_code_amcsd 0001826 _chemical_formula_sum 'O22.46 F1.54 Si6.12 Al2.32 Mg4.32 Ti.04 Fe.2 Ca2.25 Na.75 K.65 H2' _cell_length_a 9.889 _cell_length_b 17.978 _cell_length_c 5.298 _cell_angle_alpha 90 _cell_angle_beta 105.41 _cell_angle_gamma 90 _cell_volume 908.040 _exptl_crystal_density_diffrn 3.204 _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 O1 0.10640 0.08720 0.21790 1.00000 0.00937 O2 0.11930 0.17260 0.73230 1.00000 0.00887 O-h3 0.10560 0.00000 0.71430 0.23000 0.01001 F3 0.10560 0.00000 0.71430 0.77000 0.01001 O4 0.36600 0.25080 0.79160 1.00000 0.01140 O5 0.35030 0.13940 0.11210 1.00000 0.01267 O6 0.34530 0.11750 0.61100 1.00000 0.01267 O7 0.34110 0.00000 0.28710 1.00000 0.01570 Si1 0.27980 0.08550 0.30510 0.53000 0.00621 Al1 0.27980 0.08550 0.30510 0.47000 0.00621 Si2 0.29030 0.17330 0.81410 1.00000 0.00659 Mg1 0.00000 0.08920 0.50000 1.00000 0.00671 Mg2 0.00000 0.17560 0.00000 0.71000 0.00659 Al2 0.00000 0.17560 0.00000 0.18000 0.00659 Ti2 0.00000 0.17560 0.00000 0.02000 0.00659 Fe2 0.00000 0.17560 0.00000 0.09000 0.00659 Mg3 0.00000 0.00000 0.00000 0.90000 0.00709 Fe3 0.00000 0.00000 0.00000 0.02000 0.00709 Al3 0.00000 0.00000 0.00000 0.08000 0.00709 Ca4 0.00000 0.27960 0.50000 1.00000 0.00937 NaA 0.00000 0.50000 0.00000 0.15000 0.01153 KA 0.00000 0.50000 0.00000 0.13000 0.01153 CaA 0.00000 0.50000 0.00000 0.05000 0.01153 NaAm 0.03210 0.50000 0.06810 0.15000 0.03787 KAm 0.03210 0.50000 0.06810 0.13000 0.03787 CaAm 0.03210 0.50000 0.06810 0.05000 0.03787 NaA2 0.00000 0.47290 0.00000 0.15000 0.03508 KAm 0.00000 0.47290 0.00000 0.13000 0.03508 CaA2 0.00000 0.47290 0.00000 0.05000 0.03508 H 0.16880 0.00000 0.64020 1.00000 0.10005