data_global _chemical_name_mineral 'Potassic-chlorohastingsite' loop_ _publ_author_name 'Oberti R' 'Ungaretti L' 'Cannillo E' 'Hawthorne F C' _journal_name_full 'American Mineralogist' _journal_volume 78 _journal_year 1993 _journal_page_first 746 _journal_page_last 752 _publ_section_title ; The mechanism of Cl incorporation in amphibole Sample: Cl(2) ; _database_code_amcsd 0001601 _chemical_compound_source 'Sesia-Lanzo marble, Western Alps, Italy' _chemical_formula_sum 'Na.5 K.54 Mg1.06 Fe3.58 Al2.18 Ti.02 Ca1.86 Si6.16 O24.88 (Cl.98 F.14 H.88)' _cell_length_a 9.922 _cell_length_b 18.219 _cell_length_c 5.360 _cell_angle_alpha 90 _cell_angle_beta 104.81 _cell_angle_gamma 90 _cell_volume 936.733 _exptl_crystal_density_diffrn 3.552 _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 NaA 0.00000 0.50000 0.00000 0.12000 0.03483 KA 0.00000 0.50000 0.00000 0.18000 0.03483 NaAm 0.03440 0.50000 0.07070 0.06000 0.04281 KAm 0.03440 0.50000 0.07070 0.09000 0.04281 NaA2 0.00000 0.46450 0.00000 0.06000 0.05978 KA2 0.00000 0.46450 0.00000 0.09000 0.05978 Mg1 0.00000 0.09440 0.50000 0.18000 0.00925 Fe1 0.00000 0.09440 0.50000 0.82000 0.00925 Mg2 0.00000 0.17920 0.00000 0.31000 0.00747 Fe2 0.00000 0.17920 0.00000 0.51000 0.00747 Al2 0.00000 0.17920 0.00000 0.17000 0.00747 Ti2 0.00000 0.17920 0.00000 0.01000 0.00747 Mg3 0.00000 0.00000 0.00000 0.08000 0.00899 Fe3 0.00000 0.00000 0.00000 0.92000 0.00899 Ca4 0.00000 0.28060 0.50000 0.93000 0.01077 Na4 0.00000 0.28060 0.50000 0.07000 0.01077 Si1 0.27790 0.08610 0.30060 0.54000 0.00621 Al1 0.27790 0.08610 0.30060 0.46000 0.00621 Si2 0.29110 0.17350 0.81130 1.00000 0.00684 O1 0.10390 0.09150 0.21310 1.00000 0.01089 O2 0.12150 0.17770 0.73650 1.00000 0.01013 Cl3 0.10310 0.00000 0.70210 0.49000 0.01178 F3 0.10310 0.00000 0.70210 0.07000 0.01178 O-H3 0.10310 0.00000 0.70210 0.44000 0.01178 O3* 0.16110 0.00000 0.73370 1.00000 0.01545 O4 0.36900 0.24990 0.79470 1.00000 0.01165 O5 0.34740 0.13630 0.09850 1.00000 0.01127 O6 0.34230 0.12200 0.59770 1.00000 0.01279 O7 0.33380 0.00000 0.29770 1.00000 0.01684