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: F15 ; _database_code_amcsd 0005459 _chemical_formula_sum 'Si6.096 Al2.824 Mg3.81 Fe.43 Cr.04 Ca1.76 Na.948 K.01 H2 O24' _cell_length_a 9.854 _cell_length_b 17.931 _cell_length_c 5.282 _cell_angle_alpha 90 _cell_angle_beta 105.33 _cell_angle_gamma 90 _cell_volume 900.080 _exptl_crystal_density_diffrn 3.117 _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 0.30310 0.76200 0.00545 AlT1 0.28080 0.08540 0.30310 0.23800 0.00545 SiT2 0.29110 0.17340 0.81390 0.76200 0.00583 AlT2 0.29110 0.17340 0.81390 0.23800 0.00583 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 0.30000 0.00595 FeM2 0.00000 0.17620 0.00000 0.04000 0.00595 MgM2 0.00000 0.17620 0.00000 0.64000 0.00595 AlM3 0.00000 0.00000 0.00000 0.32000 0.00583 MgM3 0.00000 0.00000 0.00000 0.61000 0.00583 FeM3 0.00000 0.00000 0.00000 0.07000 0.00583 FeM4 0.00000 0.28010 0.50000 0.03000 0.00773 MgM4 0.00000 0.28010 0.50000 0.02000 0.00773 CaM4 0.00000 0.28010 0.50000 0.44000 0.00773 NaM4 0.00000 0.28010 0.50000 0.01000 0.00773 FeM4* 0.00000 0.25920 0.50000 0.03000 0.00899 MgM4* 0.00000 0.25920 0.50000 0.02000 0.00899 CaM4* 0.00000 0.25920 0.50000 0.44000 0.00899 NaM4* 0.00000 0.25920 0.50000 0.01000 0.00899 NaA 0.00000 0.50000 0.00000 0.18200 0.08093 KA 0.00000 0.50000 0.00000 0.00200 0.08093 NaA(m) 0.02320 0.50000 0.05010 0.18100 0.07346 KA(m) 0.02320 0.50000 0.05010 0.00200 0.07346 NaA(2) 0.00000 0.46910 0.00000 0.18200 0.01672 KA(2) 0.00000 0.46910 0.00000 0.00200 0.01672 H 0.18930 0.00000 0.76770 1.00000 0.02115 O1 0.10620 0.08730 0.21480 1.00000 0.01127 O2 0.11970 0.17360 0.73440 1.00000 0.00849 O-h3 0.10740 0.00000 0.71950 1.00000 0.01039 O4 0.36770 0.25050 0.78700 1.00000 0.01115 O5 0.35070 0.14190 0.11530 1.00000 0.01089 O6 0.34340 0.11500 0.61480 1.00000 0.01292 O7 0.34120 0.00000 0.26860 1.00000 0.01317