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: F14 ; _database_code_amcsd 0005458 _chemical_formula_sum 'Si6.072 Al2.838 Mg3.8 Fe.47 Cr.02 Ca1.8 Na.935 K.007 H2 O24' _cell_length_a 9.855 _cell_length_b 17.927 _cell_length_c 5.283 _cell_angle_alpha 90 _cell_angle_beta 105.44 _cell_angle_gamma 90 _cell_volume 899.666 _exptl_crystal_density_diffrn 3.125 _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 0.28080 0.08540 0.30330 0.75900 0.00583 AlT1 0.28080 0.08540 0.30330 0.24100 0.00583 SiT2 0.29100 0.17340 0.81410 0.75900 0.00621 AlT2 0.29100 0.17340 0.81410 0.24100 0.00621 MgM1 0.00000 0.08940 0.50000 0.92000 0.00646 FeM1 0.00000 0.08940 0.50000 0.08000 0.00646 CrM2 0.00000 0.17610 0.00000 0.01000 0.00633 AlM2 0.00000 0.17610 0.00000 0.32000 0.00633 FeM2 0.00000 0.17610 0.00000 0.06000 0.00633 MgM2 0.00000 0.17610 0.00000 0.61000 0.00633 AlM3 0.00000 0.00000 0.00000 0.27000 0.00608 MgM3 0.00000 0.00000 0.00000 0.66000 0.00608 FeM3 0.00000 0.00000 0.00000 0.07000 0.00608 FeM4 0.00000 0.27960 0.50000 0.03000 0.00925 MgM4 0.00000 0.27960 0.50000 0.02000 0.00925 CaM4 0.00000 0.27960 0.50000 0.45000 0.00925 FeM4* 0.00000 0.25440 0.50000 0.03000 0.01127 MgM4* 0.00000 0.25440 0.50000 0.02000 0.01127 CaM4* 0.00000 0.25440 0.50000 0.45000 0.01127 NaA 0.00000 0.50000 0.00000 0.18700 0.02356 KA 0.00000 0.50000 0.00000 0.00100 0.02356 NaA(m) 0.02640 0.50000 0.08330 0.18700 0.03711 KA(m) 0.02640 0.50000 0.08330 0.00200 0.03711 NaA(2) 0.00000 0.46780 0.00000 0.18700 0.01583 KA(2) 0.00000 0.46780 0.00000 0.00100 0.01583 H 0.18350 0.00000 0.77250 1.00000 0.02596 O1 0.10590 0.08740 0.21450 1.00000 0.01153 O2 0.11970 0.17360 0.73450 1.00000 0.00861 O-h3 0.10730 0.00000 0.71880 1.00000 0.01089 O4 0.36800 0.25050 0.78680 1.00000 0.01191 O5 0.35070 0.14190 0.11530 1.00000 0.01089 O6 0.34310 0.11510 0.61490 1.00000 0.01317 O7 0.34120 0.00000 0.26920 1.00000 0.01330