data_global _chemical_name_mineral 'Ferri-leakeite' loop_ _publ_author_name 'Hawthorne F C' 'Ungaretti L' 'Oberti R' 'Cannillo E' _journal_name_full 'American Mineralogist' _journal_volume 79 _journal_year 1994 _journal_page_first 443 _journal_page_last 451 _publ_section_title ; The mechanism of Li incorporation in amphiboles Sample: A3 Note: Site occupancies are set to be the same as ones in sample A2 ; _database_code_amcsd 0001657 _chemical_compound_source 'Kajlidongri, Madhya Pradesh, India' _chemical_formula_sum 'Si7.92 Al.26 Mg2.24 Fe1.42 Mn.42 Li.74 Na2.71 Ca.04 K.2 H1.28 O23.5 F.48' _cell_length_a 9.822 _cell_length_b 17.836 _cell_length_c 5.286 _cell_angle_alpha 90 _cell_angle_beta 104.37 _cell_angle_gamma 90 _cell_volume 897.056 _exptl_crystal_density_diffrn 3.145 _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 0.27800 0.08620 0.29440 0.99000 0.00583 Al1 0.27800 0.08620 0.29440 0.01000 0.00583 Si2 0.28830 0.17120 0.80180 0.99000 0.00570 Al2 0.28830 0.17120 0.80180 0.01000 0.00570 Mg1 0.00000 0.08480 0.50000 0.83000 0.00887 Al1 0.00000 0.08480 0.50000 0.04000 0.00887 Fe1 0.00000 0.08480 0.50000 0.10000 0.00887 Mn1 0.00000 0.08480 0.50000 0.03000 0.00887 Mg2 0.00000 0.17960 0.00000 0.16000 0.00633 Al2 0.00000 0.17960 0.00000 0.05000 0.00633 Fe2 0.00000 0.17960 0.00000 0.61000 0.00633 Mn2 0.00000 0.17960 0.00000 0.18000 0.00633 Li3 0.00000 0.00000 0.00000 0.74000 0.00874 Mg3 0.00000 0.00000 0.00000 0.26000 0.00874 Na4 0.00000 0.27630 0.50000 0.98000 0.01532 Ca4 0.00000 0.27630 0.50000 0.02000 0.01532 NaA 0.00000 0.50000 0.00000 0.15000 0.05712 KA 0.00000 0.50000 0.00000 0.04000 0.05712 NaAm 0.03990 0.50000 0.09300 0.15000 0.03559 KAm 0.03990 0.50000 0.09300 0.04000 0.03559 NaA2 0.00000 0.47660 0.00000 0.15000 0.05243 KA2 0.00000 0.47660 0.00000 0.04000 0.05243 H 0.18450 0.00000 0.77050 0.64000 0.03939 O1 0.11000 0.09050 0.21540 1.00000 0.00899 O2 0.11840 0.16850 0.72840 1.00000 0.00963 O3 0.11100 0.00000 0.69750 0.11000 0.01153 O-h3 0.11100 0.00000 0.69750 0.64000 0.01153 F3 0.11100 0.00000 0.69750 0.24000 0.01153 O4 0.36230 0.25040 0.80270 1.00000 0.01127 O5 0.34860 0.12810 0.08500 1.00000 0.00937 O6 0.34360 0.11930 0.58540 1.00000 0.00937 O7 0.33380 0.00000 0.29830 1.00000 0.01191