data_global _chemical_name_mineral 'Pargasite' loop_ _publ_author_name 'Oberti R' 'Ungaretti L' 'Cannillo E' 'Hawthorne F C' 'Memmi I' _journal_name_full 'European Journal of Mineralogy' _journal_volume 7 _journal_year 1995 _journal_page_first 1049 _journal_page_last 1063 _publ_section_title ; Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(7) ; _database_code_amcsd 0006605 _chemical_formula_sum 'Na.47 K.1 Mg3.06 Fe1.45 Al.99 Ti.33 Ca1.83 Mn.02 Si7.31 H1.958 O23.958 F.042' _cell_length_a 9.870 _cell_length_b 18.046 _cell_length_c 5.318 _cell_angle_alpha 90 _cell_angle_beta 105.04 _cell_angle_gamma 90 _cell_volume 914.764 _exptl_crystal_density_diffrn 3.189 _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 0.09200 0.03838 KA 0.00000 0.50000 0.00000 0.02000 0.03838 NaAm 0.04080 0.50000 0.08750 0.09200 0.05319 KAm 0.04080 0.50000 0.08750 0.02000 0.05319 NaA2 0.00000 0.49100 0.00000 0.09200 0.03534 KA2 0.00000 0.49100 0.00000 0.02000 0.03534 MgM1 0.00000 0.08870 0.50000 0.71000 0.00760 FeM1 0.00000 0.08870 0.50000 0.29000 0.00760 MgM2 0.00000 0.17780 0.00000 0.50500 0.00684 AlM2 0.00000 0.17780 0.00000 0.12500 0.00684 TiM2 0.00000 0.17780 0.00000 0.16500 0.00684 FeM2 0.00000 0.17780 0.00000 0.20500 0.00684 MgM3 0.00000 0.00000 0.00000 0.63000 0.00684 AlM3 0.00000 0.00000 0.00000 0.05000 0.00684 FeM3 0.00000 0.00000 0.00000 0.32000 0.00684 NaM4 0.00000 0.28030 0.50000 0.00250 0.00937 CaM4 0.00000 0.28030 0.50000 0.45750 0.00937 MnM4 0.00000 0.28030 0.50000 0.00500 0.00937 FeM4 0.00000 0.28030 0.50000 0.03500 0.00937 NaM4* 0.00000 0.25800 0.50000 0.00250 0.00785 CaM4* 0.00000 0.25800 0.50000 0.45750 0.00785 MnM4* 0.00000 0.25800 0.50000 0.00500 0.00785 FeM4* 0.00000 0.25800 0.50000 0.03500 0.00785 AlT1 0.28070 0.08530 0.30110 0.06500 0.00595 SiT1 0.28070 0.08530 0.30110 0.93500 0.00595 AlT2 0.29070 0.17220 0.81140 0.10750 0.00633 SiT2 0.29070 0.17220 0.81140 0.89250 0.00633 H 0.20030 0.00000 0.76830 0.97900 0.01938 O1 0.10800 0.08860 0.21540 1.00000 0.00912 O2 0.11860 0.17380 0.73290 1.00000 0.00912 O3 0.10940 0.00000 0.71440 0.97900 0.01026 F3 0.10940 0.00000 0.71440 0.02100 0.01026 O4 0.36840 0.24980 0.79030 1.00000 0.01191 O5 0.34930 0.13890 0.11020 1.00000 0.01267 O6 0.34310 0.11740 0.60220 1.00000 0.01305 O7 0.33680 0.00000 0.28120 1.00000 0.01507