data_global _chemical_name_mineral 'Pargasite' loop_ _publ_author_name 'Oberti R' 'Hawthorne F C' 'Ungaretti L' 'Cannillo E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 33 _journal_year 1995 _journal_page_first 867 _journal_page_last 878 _publ_section_title ; [6]Al disorder in amphiboles from mantle peridotites Sample: F12 ; _database_code_amcsd 0005456 _chemical_formula_sum 'Si6.096 Al2.814 Mg3.81 Fe.44 Cr.04 Ca1.8 Na.915 K.01 H2 O24' _cell_length_a 9.854 _cell_length_b 17.935 _cell_length_c 5.285 _cell_angle_alpha 90 _cell_angle_beta 105.31 _cell_angle_gamma 90 _cell_volume 900.879 _exptl_crystal_density_diffrn 3.119 _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 SiT1 0.28070 0.08540 0.30300 0.76200 0.00545 AlT1 0.28070 0.08540 0.30300 0.23800 0.00545 SiT2 0.29100 0.17340 0.81390 0.76200 0.00570 AlT2 0.29100 0.17340 0.81390 0.23800 0.00570 MgM1 0.00000 0.08940 0.50000 0.92000 0.00633 FeM1 0.00000 0.08940 0.50000 0.08000 0.00633 CrM2 0.00000 0.17620 0.00000 0.02000 0.00595 AlM2 0.00000 0.17620 0.00000 0.32000 0.00595 FeM2 0.00000 0.17620 0.00000 0.04000 0.00595 MgM2 0.00000 0.17620 0.00000 0.62000 0.00595 AlM3 0.00000 0.00000 0.00000 0.27000 0.00608 MgM3 0.00000 0.00000 0.00000 0.65000 0.00608 FeM3 0.00000 0.00000 0.00000 0.08000 0.00608 FeM4 0.00000 0.28000 0.50000 0.03000 0.00785 MgM4 0.00000 0.28000 0.50000 0.02000 0.00785 CaM4 0.00000 0.28000 0.50000 0.45000 0.00785 FeM4* 0.00000 0.25860 0.50000 0.03000 0.01013 MgM4* 0.00000 0.25860 0.50000 0.02000 0.01013 CaM4* 0.00000 0.25860 0.50000 0.45000 0.01013 NaA 0.00000 0.50000 0.00000 0.18300 0.07244 KA 0.00000 0.50000 0.00000 0.00200 0.07244 NaA(m) 0.01690 0.50000 0.05830 0.18300 0.04787 KA(m) 0.01690 0.50000 0.05830 0.00200 0.04787 NaA(2) 0.00000 0.46960 0.00000 0.18300 0.02305 KA(2) 0.00000 0.46960 0.00000 0.00200 0.02305 H 0.19260 0.00000 0.76480 1.00000 0.02875 O1 0.10600 0.08750 0.21460 1.00000 0.01140 O2 0.11960 0.17360 0.73460 1.00000 0.00836 O-h3 0.10760 0.00000 0.71890 1.00000 0.01051 O4 0.36770 0.25050 0.78750 1.00000 0.01115 O5 0.35070 0.14170 0.11510 1.00000 0.01089 O6 0.34340 0.11530 0.61430 1.00000 0.01292 O7 0.34100 0.00000 0.26940 1.00000 0.01317