data_global _chemical_name_mineral 'Fluor-dravite' loop_ _publ_author_name 'Camara F' 'Ottolini L' 'Hawthorne F C' _journal_name_full 'American Mineralogist' _journal_volume 87 _journal_year 2000 _journal_page_first 1437 _journal_page_last 1442 _publ_section_title ; Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 3 ; _database_code_amcsd 0002915 _chemical_compound_source 'a pegmatite at Minas Gerais, Brazil' _chemical_formula_sum 'Na.81 Ca.01 K.01 Fe.9 Mg.6 Al6.78 Li.66 Ti.06 Si5.76 B3 O30.45 F.55 H3.42' _cell_length_a 15.921 _cell_length_b 15.921 _cell_length_c 7.137 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1566.704 _exptl_crystal_density_diffrn 3.084 _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 0.81890 0.81000 ? CaX 0.00000 0.00000 0.81890 0.01000 ? KX 0.00000 0.00000 0.81890 0.01000 ? Fe2Y 0.06220 0.93780 0.42420 0.30000 ? MgY 0.06220 0.93780 0.42420 0.20000 ? AlY 0.06220 0.93780 0.42420 0.26000 ? LiY 0.06220 0.93780 0.42420 0.22000 ? TiY 0.06220 0.93780 0.42420 0.02000 ? AlZ 0.26110 0.29780 0.44140 1.00000 ? SiT 0.18990 0.19190 0.05290 0.96000 ? B 0.89020 0.10980 0.59770 1.00000 ? O1 0.00000 0.00000 0.27140 0.03000 ? O-H1 0.00000 0.00000 0.27140 0.42000 ? F1 0.00000 0.00000 0.27140 0.55000 ? O2 0.93890 0.06110 0.56870 1.00000 ? O-H3 0.13430 0.86570 0.54320 1.00000 ? O4 0.90680 0.09320 0.98220 1.00000 ? O5 0.09320 0.90680 0.96030 1.00000 ? O6 0.18700 0.19710 0.27680 1.00000 ? O7 0.28570 0.28550 0.97270 1.00000 ? O8 0.27060 0.20990 0.61150 1.00000 ? loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 NaX 0.02500 0.02500 0.01600 0.01200 0.00000 0.00000 CaX 0.02500 0.02500 0.01600 0.01200 0.00000 0.00000 KX 0.02500 0.02500 0.01600 0.01200 0.00000 0.00000 Fe2Y 0.00600 0.00600 0.00800 0.00200 0.00100 -0.00100 MgY 0.00600 0.00600 0.00800 0.00200 0.00100 -0.00100 AlY 0.00600 0.00600 0.00800 0.00200 0.00100 -0.00100 LiY 0.00600 0.00600 0.00800 0.00200 0.00100 -0.00100 TiY 0.00600 0.00600 0.00800 0.00200 0.00100 -0.00100 AlZ 0.00600 0.00600 0.00400 0.00300 -0.00100 0.00000 SiT 0.00400 0.00400 0.00400 0.00200 0.00000 0.00000 B 0.00600 0.00600 0.00700 0.00300 0.00000 0.00000 O1 0.06200 0.06200 0.01000 0.03100 0.00000 0.00000 O-H1 0.06200 0.06200 0.01000 0.03100 0.00000 0.00000 F1 0.06200 0.06200 0.01000 0.03100 0.00000 0.00000 O2 0.02200 0.02200 0.01000 0.02000 0.00000 0.00000 O-H3 0.01000 0.01000 0.00600 0.00100 0.00000 0.00000 O4 0.00700 0.00700 0.00700 0.00000 0.00000 0.00000 O5 0.00700 0.00700 0.00700 0.00000 0.00000 0.00000 O6 0.00900 0.00700 0.00400 0.00300 0.00000 0.00000 O7 0.00600 0.00500 0.00600 0.00100 0.00100 0.00000 O8 0.01000 0.00500 0.00800 0.00400 -0.00300 -0.00100