data_global _chemical_name_mineral 'Fluor-elbaite' loop_ _publ_author_name 'Bosi F' 'Agrosi G' 'Lucchesi S' 'Melchiorre G' 'Scandale E' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 1661 _journal_page_last 1668 _publ_section_title ; Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2x ; _database_code_amcsd 0003945 _chemical_compound_source 'Elba, Italy' _chemical_formula_sum 'Na.737 Ca.022 K.003 Al7.305 Mn1.161 Li.573 Ti.039 B3 Si5.922 F.429 O30.571 H3.382' _cell_length_a 15.9303 _cell_length_b 15.9303 _cell_length_c 7.1341 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1567.898 _exptl_crystal_density_diffrn 3.127 _symmetry_space_group_name_H-M 'R 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+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 NaX 0.00000 0.00000 0.22918 0.73700 0.02330 CaX 0.00000 0.00000 0.22918 0.02200 0.02330 KX 0.00000 0.00000 0.22918 0.00300 0.02330 AlY 0.12357 0.06179 0.62546 0.43500 0.00950 MnY 0.12357 0.06179 0.62546 0.36100 0.00950 LiY 0.12357 0.06179 0.62546 0.19100 0.00950 TiY 0.12357 0.06179 0.62546 0.01300 0.00950 AlZ 0.29783 0.26115 0.61123 0.98700 0.00522 MnZ 0.29783 0.26115 0.61123 0.01300 0.00522 B 0.10984 0.21968 0.45416 1.00000 0.00580 SiT 0.19187 0.18992 0.00000 0.98700 0.00411 AlT 0.19187 0.18992 0.00000 0.01300 0.00411 F1W 0.00000 0.00000 0.78032 0.42900 0.05600 O-H1W 0.00000 0.00000 0.78032 0.38200 0.05600 O1W 0.00000 0.00000 0.78032 0.18900 0.05600 O2 0.06116 0.12232 0.48259 1.00000 0.02040 O3V 0.26860 0.13430 0.50981 1.00000 0.01100 O4 0.09346 0.18692 0.07035 1.00000 0.00820 O5 0.18679 0.09340 0.09241 1.00000 0.00850 O6 0.19719 0.18703 0.77546 1.00000 0.00720 O7 0.28555 0.28593 0.07991 1.00000 0.00580 O8 0.20995 0.27081 0.44136 1.00000 0.00760 H3 0.26110 0.13060 0.38700 1.00000 0.09000