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: Tsl2m ; _database_code_amcsd 0003946 _chemical_compound_source 'Elba, Italy' _chemical_formula_sum 'Na.686 Ca.025 K.004 Al7.233 Mn1.299 Li.444 Ti.042 Si5.982 B3 F.388 O30.612 H3.252' _cell_length_a 15.9398 _cell_length_b 15.9398 _cell_length_c 7.1363 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1570.252 _exptl_crystal_density_diffrn 3.139 _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 0.22836 0.68600 0.02360 CaX 0.00000 0.00000 0.22836 0.02500 0.02360 KX 0.00000 0.00000 0.22836 0.00400 0.02360 AlY 0.12374 0.06187 0.62473 0.43900 0.00960 MnY 0.12374 0.06187 0.62473 0.39900 0.00960 LiY 0.12374 0.06187 0.62473 0.14800 0.00960 TiY 0.12374 0.06187 0.62473 0.01400 0.00960 AlZ 0.29795 0.26127 0.61119 0.98300 0.00480 MnZ 0.29795 0.26127 0.61119 0.01700 0.00480 SiT 0.19189 0.18993 0.00000 0.99700 0.00397 AlT 0.19189 0.18993 0.00000 0.00300 0.00397 B 0.10992 0.21984 0.45388 1.00000 0.00500 F1W 0.00000 0.00000 0.77963 0.38800 0.05600 O1W 0.00000 0.00000 0.77963 0.36000 0.05600 O-H1W 0.00000 0.00000 0.77963 0.25200 0.05600 O2 0.06126 0.12252 0.48260 1.00000 0.02010 O3V 0.26871 0.13436 0.50975 1.00000 0.01090 O4 0.09348 0.18696 0.06993 1.00000 0.00770 O5 0.18684 0.09342 0.09184 1.00000 0.00830 O6 0.19730 0.18708 0.77557 1.00000 0.00690 O7 0.28545 0.28586 0.08000 1.00000 0.00550 O8 0.21004 0.27095 0.44127 1.00000 0.00730 H3 0.24710 0.12360 0.39300 1.00000 0.16000