data_global _chemical_name_mineral 'Pargasite' loop_ _publ_author_name 'Makino K' 'Tomita K' _journal_name_full 'American Mineralogist' _journal_volume 74 _journal_year 1989 _journal_page_first 1097 _journal_page_last 1105 _publ_section_title ; Cation distribution in the octahedral sites of hornblendes sample E-P from Einstodingen, Antarctica ; _database_code_amcsd 0001268 _chemical_formula_sum '(Si5.96 Al2.04) (Mg4.1 Fe.9) Ca1.99 Na1.89 O24 H2' _cell_length_a 9.900 _cell_length_b 17.95 _cell_length_c 5.311 _cell_angle_alpha 90 _cell_angle_beta 105.42 _cell_angle_gamma 90 _cell_volume 909.817 _exptl_crystal_density_diffrn 3.218 _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 Si1 0.27760 0.08630 0.30490 0.50000 0.00557 Al1 0.27760 0.08630 0.30490 0.50000 0.00557 Si2 0.29610 0.17410 0.81620 0.99000 0.00595 Al2 0.29610 0.17410 0.81620 0.01000 0.00595 Mg1 0.00000 0.09030 0.50000 0.82200 0.01165 Fe1 0.00000 0.09030 0.50000 0.17800 0.01165 Mg2 0.00000 0.17680 0.00000 0.83800 0.00798 Fe2 0.00000 0.17680 0.00000 0.16200 0.00798 Mg3 0.00000 0.00000 0.00000 0.78000 0.01102 Fe3 0.00000 0.00000 0.00000 0.22000 0.01102 Ca4 0.00000 0.28090 0.50000 0.99500 0.00849 Na4 0.00000 0.28090 0.50000 0.00500 0.00849 NaAm 0.02030 0.50000 0.04260 0.94000 0.02191 O1 0.10450 0.09020 0.21480 1.00000 0.01051 O2 0.12040 0.17500 0.73750 1.00000 0.01039 O-H3 0.11230 0.00000 0.71510 1.00000 0.00963 O4 0.36870 0.25060 0.79340 1.00000 0.01102 O5 0.34910 0.13980 0.11290 1.00000 0.01089 O6 0.34180 0.11860 0.61080 1.00000 0.01165 O7 0.33440 0.00000 0.28800 1.00000 0.01520