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: F11 ; _database_code_amcsd 0005455 _chemical_formula_sum 'Si6.088 Al2.812 Mg3.82 Fe.64 Cr.04 Ca3.64 Na.933 K.013 H2 O24' _cell_length_a 9.857 _cell_length_b 17.932 _cell_length_c 5.285 _cell_angle_alpha 90 _cell_angle_beta 105.36 _cell_angle_gamma 90 _cell_volume 900.787 _exptl_crystal_density_diffrn 3.434 _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 0.30310 0.76100 0.00583 AlT1 0.28070 0.08540 0.30310 0.23900 0.00583 SiT2 0.29100 0.17340 0.81390 0.76100 0.00633 AlT2 0.29100 0.17340 0.81390 0.23900 0.00633 MgM1 0.00000 0.08940 0.50000 0.93000 0.00671 FeM1 0.00000 0.08940 0.50000 0.07000 0.00671 CrM2 0.00000 0.17620 0.00000 0.02000 0.00684 AlM2 0.00000 0.17620 0.00000 0.31000 0.00684 FeM2 0.00000 0.17620 0.00000 0.05000 0.00684 MgM2 0.00000 0.17620 0.00000 0.62000 0.00684 AlM3 0.00000 0.00000 0.00000 0.28000 0.00633 MgM3 0.00000 0.00000 0.00000 0.64000 0.00633 FeM3 0.00000 0.00000 0.00000 0.08000 0.00633 FeM4 0.00000 0.27960 0.50000 0.08000 0.00975 MgM4 0.00000 0.27960 0.50000 0.02000 0.00975 CaM4 0.00000 0.27960 0.50000 0.90000 0.00975 FeM4* 0.00000 0.25430 0.50000 0.08000 0.01102 MgM4* 0.00000 0.25430 0.50000 0.02000 0.01102 CaM4* 0.00000 0.25430 0.50000 0.92000 0.01102 NaA 0.00000 0.50000 0.00000 0.18700 0.02989 KA 0.00000 0.50000 0.00000 0.00300 0.02989 NaA(m) 0.02540 0.50000 0.08010 0.18700 0.06725 KA(m) 0.02540 0.50000 0.08010 0.00300 0.06725 NaA(2) 0.00000 0.46830 0.00000 0.18600 0.01596 KA(2) 0.00000 0.46830 0.00000 0.00200 0.01596 H 0.18550 0.00000 0.75550 1.00000 0.03407 O1 0.10590 0.08750 0.21440 1.00000 0.01165 O2 0.11970 0.17360 0.73470 1.00000 0.00874 O-h3 0.10740 0.00000 0.71830 1.00000 0.01077 O4 0.36790 0.25050 0.78710 1.00000 0.01165 O5 0.35070 0.14160 0.11460 1.00000 0.01115 O6 0.34330 0.11520 0.61460 1.00000 0.01330 O7 0.34100 0.00000 0.26940 1.00000 0.01381