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: A11 - FE229 N.18 ; _database_code_amcsd 0005496 _chemical_formula_sum 'Si7.04 Al1.9 Mg3.69 Fe.49 Ti.02 Cr.04 Ca1.78 Na.944 K.01 H1.96 O23.96 F.04' _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 3.131 _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 0.76000 0.00545 AlT1 0.28080 0.08540 0.30310 0.24000 0.00545 SiT2 0.29110 0.17340 0.81390 1.00000 0.00583 MgM1 0.00000 0.08940 0.50000 0.92000 0.00633 FeM1 0.00000 0.08940 0.50000 0.08000 0.00633 AlM2 0.00000 0.17620 0.00000 0.31000 0.00595 TiM2 0.00000 0.17620 0.00000 0.01000 0.00595 CrM2 0.00000 0.17620 0.00000 0.02000 0.00595 FeM2 0.00000 0.17620 0.00000 0.04000 0.00595 MgM2 0.00000 0.17620 0.00000 0.62000 0.00595 MgM3 0.00000 0.00000 0.00000 0.61000 0.00583 FeM3 0.00000 0.00000 0.00000 0.07000 0.00583 AlM3 0.00000 0.00000 0.00000 0.32000 0.00583 FeM4 0.00000 0.28010 0.50000 0.05000 0.00773 CaM4 0.00000 0.28010 0.50000 0.45000 0.00773 NaM4 0.00000 0.28010 0.50000 0.01000 0.00773 FeM4* 0.00000 0.25940 0.50000 0.04000 0.00937 CaM4* 0.00000 0.25940 0.50000 0.44000 0.00937 NaM4* 0.00000 0.25940 0.50000 0.01000 0.00937 NaAm 0.01680 0.50000 0.04130 0.17100 0.05535 KAm 0.01680 0.50000 0.04130 0.00200 0.05535 NaA2 0.00000 0.47030 0.00000 0.28100 0.02647 KA2 0.00000 0.47030 0.00000 0.00300 0.02647 H 0.19000 0.00000 0.76890 0.98000 0.02267 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 0.98000 0.01039 F3 0.10740 0.00000 0.71950 0.02000 0.01039 O4 0.36770 0.25050 0.78700 1.00000 0.01115 O5 0.35070 0.14190 0.11530 1.00000 0.01077 O6 0.34340 0.11500 0.61480 1.00000 0.01292 O7 0.34130 0.00000 0.26860 1.00000 0.01317