data_global _chemical_name_mineral 'Vanadio-oxy-dravite' loop_ _publ_author_name 'Bosi F' 'Skogby H' 'Reznitskii L' 'Halenius U' _journal_name_full 'American Mineralogist' _journal_volume 99 _journal_year 2014 _journal_page_first 218 _journal_page_last 224 _publ_section_title ; Vanadio-oxy-dravite, NaV3(Al4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup ; _database_code_amcsd 0020018 _chemical_compound_source 'Sludyanka, Lake Baikal, Russia' _chemical_formula_sum '(Na.793 Ca.207) Mg2.4 V2.253 Al4.14 Cr.18 B3 Si6 O31 H3' _cell_length_a 16.0273 _cell_length_b 16.0273 _cell_length_c 7.2833 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1620.241 _exptl_crystal_density_diffrn 3.138 _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 0.22773 0.79300 0.01900 CaX 0.00000 0.00000 0.22773 0.20700 0.01900 MgY 0.12348 0.06174 0.63626 0.38000 0.00762 VY 0.12348 0.06174 0.63626 0.50500 0.00762 AlY 0.12348 0.06174 0.63626 0.12000 0.00762 AlZ 0.29819 0.26189 0.61147 0.63000 0.00619 VZ 0.29819 0.26189 0.61147 0.12300 0.00619 MgZ 0.29819 0.26189 0.61147 0.21000 0.00619 CrZ 0.29819 0.26189 0.61147 0.03000 0.00619 B 0.11006 0.22013 0.45400 1.00000 0.00810 Si 0.19103 0.18935 0.00000 1.00000 0.00578 O1 0.00000 0.00000 0.76920 1.00000 0.00960 O2 0.06078 0.12155 0.48339 1.00000 0.00900 O3 0.26119 0.13060 0.51118 1.00000 0.01230 H3 0.25930 0.12960 0.39400 1.00000 0.01800 O4 0.09256 0.18512 0.07088 1.00000 0.01047 O5 0.18237 0.09118 0.09010 1.00000 0.01021 O6 0.19403 0.18473 0.77970 1.00000 0.00828 O7 0.28366 0.28332 0.07787 1.00000 0.00932 O8 0.20861 0.26947 0.44064 1.00000 0.01098 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 0.01870 0.01870 0.01960 0.00940 0.00000 0.00000 CaX 0.01870 0.01870 0.01960 0.00940 0.00000 0.00000 MgY 0.00725 0.00625 0.00971 0.00362 -0.00189 -0.00095 VY 0.00725 0.00625 0.00971 0.00362 -0.00189 -0.00095 AlY 0.00725 0.00625 0.00971 0.00362 -0.00189 -0.00095 AlZ 0.00565 0.00608 0.00672 0.00286 -0.00001 0.00038 VZ 0.00565 0.00608 0.00672 0.00286 -0.00001 0.00038 MgZ 0.00565 0.00608 0.00672 0.00286 -0.00001 0.00038 CrZ 0.00565 0.00608 0.00672 0.00286 -0.00001 0.00038 B 0.00760 0.00830 0.00880 0.00420 0.00040 0.00080 Si 0.00525 0.00497 0.00711 0.00255 -0.00047 -0.00057 O1 0.01040 0.01040 0.00780 0.00520 0.00000 0.00000 O2 0.00880 0.00520 0.01200 0.00260 0.00073 0.00150 O3 0.01800 0.01410 0.00600 0.00900 0.00110 0.00055 O4 0.00840 0.01630 0.00940 0.00820 -0.00045 -0.00090 O5 0.01590 0.00780 0.00960 0.00790 0.00140 0.00071 O6 0.01030 0.00860 0.00680 0.00530 -0.00070 -0.00130 O7 0.00790 0.00690 0.01010 0.00140 -0.00290 -0.00080 O8 0.00450 0.00980 0.01780 0.00290 0.00090 0.00250