data_global _chemical_name_mineral 'Fluor-elbaite' loop_ _publ_author_name 'Ertl A' 'Schuster R' 'Hughes J M' 'Ludwig T' 'Meyer H-P' 'Finger F' 'Dyar M D' 'Ruschel K' 'Rossman G R' 'Klotzli U' 'Brandstatter F' 'Lengauer C L' 'Tillmanns E' _journal_name_full 'European Journal of Mineralogy' _journal_volume 24 _journal_year 2012 _journal_page_first 695 _journal_page_last 715 _publ_section_title ; Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLP1 ; _database_code_amcsd 0019405 _chemical_compound_source 'Blocherleitengraben, Moldanubian nappes, Lower Austria' _chemical_formula_sum 'Na.76 Ca.12 Al9.024 Li1.38 Mn.858 Fe.18 Ti.018 Si5.712 B6.288 F.69 O42.31 H6.31' _cell_length_a 15.8430 _cell_length_b 15.8430 _cell_length_c 7.1051 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1544.457 _exptl_crystal_density_diffrn 4.058 _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 0.75010 0.76000 0.02440 CaX 0.00000 0.00000 0.75010 0.12000 0.02440 AlY 0.12331 -0.06165 0.35020 0.50700 0.01200 LiY 0.12331 -0.06165 0.35020 0.23000 0.01200 Mn2+Y 0.12331 -0.06165 0.35020 0.14300 0.01200 Fe2+Y 0.12331 -0.06165 0.35020 0.03000 0.01200 AlZ 0.29737 0.26055 0.37027 0.99700 0.00910 Ti4+Z 0.29737 0.26055 0.37027 0.00300 0.00910 SiT 0.19175 0.18986 0.01896 0.95200 0.00670 BT 0.19175 0.18986 0.01896 0.04800 0.00670 B 0.10955 -0.21910 0.47320 1.00000 0.00980 F1 0.00000 0.00000 0.19900 0.69000 0.05000 O-H1 0.00000 0.00000 0.19900 0.31000 0.05000 O2 0.06057 -0.12114 0.49590 1.00000 0.02050 O3 0.26680 -0.13340 0.47160 1.00000 0.01470 H3 0.26600 -0.13300 0.58500 1.00000 0.04100 O4 0.09332 -0.18664 0.09110 1.00000 0.01210 O5 0.18640 -0.09320 0.11290 1.00000 0.01250 O6 0.19609 0.18609 0.20570 1.00000 0.01100 O7 0.28568 0.28563 0.09810 1.00000 0.00960 O8 0.20990 0.27049 0.45930 1.00000 0.01080