data_global _chemical_name_mineral 'Pargasite' loop_ _publ_author_name 'Hawthorne F C' 'Oberti R' 'Sardone N' _journal_name_full 'The Canadian Mineralogist' _journal_volume 34 _journal_year 1996 _journal_page_first 577 _journal_page_last 593 _publ_section_title ; Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A9 - BM47 N.1 ; _database_code_amcsd 0005494 _chemical_formula_sum 'Si7.24 Al1.12 Mg3.69 Fe.73 Ti.1 Cr.28 Ca1.48 Na1.12 K.176 H1.94 O23.94 F.06' _cell_length_a 9.870 _cell_length_b 17.991 _cell_length_c 5.291 _cell_angle_alpha 90 _cell_angle_beta 105.08 _cell_angle_gamma 90 _cell_volume 907.175 _exptl_crystal_density_diffrn 3.154 _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 0.30170 0.81000 0.00583 AlT1 0.28080 0.08540 0.30170 0.19000 0.00583 SiT2 0.29020 0.17250 0.80960 1.00000 0.00659 MgM1 0.00000 0.08760 0.50000 0.82000 0.00861 FeM1 0.00000 0.08760 0.50000 0.13000 0.00861 TiM1 0.00000 0.08760 0.50000 0.05000 0.00861 AlM2 0.00000 0.17730 0.00000 0.12000 0.00722 CrM2 0.00000 0.17730 0.00000 0.14000 0.00722 FeM2 0.00000 0.17730 0.00000 0.07000 0.00722 MgM2 0.00000 0.17730 0.00000 0.67000 0.00722 MgM3 0.00000 0.00000 0.00000 0.71000 0.00709 FeM3 0.00000 0.00000 0.00000 0.17000 0.00709 AlM3 0.00000 0.00000 0.00000 0.12000 0.00709 FeM4 0.00000 0.27840 0.50000 0.04000 0.01051 CaM4 0.00000 0.27840 0.50000 0.37000 0.01051 NaM4 0.00000 0.27840 0.50000 0.09000 0.01051 FeM4* 0.00000 0.25320 0.50000 0.04000 0.01368 CaM4* 0.00000 0.25320 0.50000 0.37000 0.01368 NaM4* 0.00000 0.25320 0.50000 0.09000 0.01368 NaAm 0.03260 0.50000 0.06970 0.16000 0.04369 KAm 0.03260 0.50000 0.06970 0.03800 0.04369 NaA2 0.00000 0.47580 0.00000 0.22000 0.04306 KA2 0.00000 0.47580 0.00000 0.05000 0.04306 H 0.18600 0.00000 0.76870 0.97000 0.01001 O1 0.10760 0.08690 0.21830 1.00000 0.00937 O2 0.11930 0.17190 0.72970 1.00000 0.00925 O-h3 0.10740 0.00000 0.71510 0.97000 0.01064 F3 0.10740 0.00000 0.71510 0.03000 0.01064 O4 0.36600 0.24970 0.78710 1.00000 0.01330 O5 0.34930 0.13870 0.10780 1.00000 0.01317 O6 0.34420 0.11550 0.60800 1.00000 0.01368 O7 0.34030 0.00000 0.27690 1.00000 0.01532