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 BLG1 ; _database_code_amcsd 0019404 _chemical_compound_source 'Blocherleitengraben, Moldanubian nappes, Lower Austria' _chemical_formula_sum 'Na.89 Ca.05 K.01 Al8.37 Li1.182 Fe1.122 Mn.96 Ti.078 Zn.018 Si5.868 B6.06 F.79 O42.21 H6.03' _cell_length_a 15.9107 _cell_length_b 15.9107 _cell_length_c 7.1267 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1562.420 _exptl_crystal_density_diffrn 4.158 _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 0.89000 0.02550 CaX 0.00000 0.00000 0.75010 0.05000 0.02550 KX 0.00000 0.00000 0.75010 0.01000 0.02550 AlY 0.12380 -0.06190 0.35847 0.38300 0.11200 LiY 0.12380 -0.06190 0.35847 0.19700 0.11200 Fe2+Y 0.12380 -0.06190 0.35847 0.18700 0.11200 Mn2+Y 0.12380 -0.06190 0.35847 0.16000 0.11200 Ti4+Y 0.12380 -0.06190 0.35847 0.01300 0.11200 ZnY 0.12380 -0.06190 0.35847 0.00300 0.11200 AlZ 0.29702 0.26092 0.37126 1.00000 0.00770 SiT 0.19192 0.19002 0.01710 0.97800 0.00670 AlT 0.19192 0.19002 0.01710 0.01200 0.00670 BT 0.19192 0.19002 0.01710 0.01000 0.00670 B 0.10992 -0.21984 0.47210 1.00000 0.00840 F1 0.00000 0.00000 0.19840 0.79000 0.06100 O1 0.00000 0.00000 0.19840 0.18000 0.06100 O-H1 0.00000 0.00000 0.19840 0.03000 0.06100 O2 0.06107 -0.12214 0.50000 1.00000 0.01980 O3 0.26880 -0.13440 0.47280 1.00000 0.01180 H3 0.26800 -0.13400 0.59000 1.00000 0.02700 O4 0.09313 -0.18626 0.08830 1.00000 0.01020 O5 0.18640 -0.09320 0.11000 1.00000 0.01070 O6 0.19727 0.18731 0.20730 1.00000 0.00980 O7 0.28555 0.28580 0.09740 1.00000 0.00860 O8 0.21008 0.27078 0.45850 1.00000 0.01020