data_global _chemical_name_mineral 'Oxy-vanadium-dravite' loop_ _publ_author_name 'Bosi F' 'Reznitskii L' 'Sklyarov E V' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 501 _journal_page_last 505 _publ_section_title ; Oxy-vanadium-dravite, NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O: Crystal structure and redefinition of the "vanadium-dravite" tourmaline ; _database_code_amcsd 0019820 _chemical_compound_source 'Sludyanka complex, southern Baikal region, Russia' _chemical_formula_sum 'Na V6.189 Mg2.586 B3 Si6 O31 H3' _cell_length_a 16.1908 _cell_length_b 16.1908 _cell_length_c 7.4143 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1683.206 _exptl_crystal_density_diffrn 3.259 _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 0.22575 1.02900 0.02520 VY 0.12291 0.06146 0.63907 0.92500 0.00800 VZ 0.29822 0.26173 0.61043 0.56900 0.00670 MgZ 0.29822 0.26173 0.61043 0.43100 0.00670 B 0.10951 0.21901 0.45484 1.00000 0.00887 SiT 0.18938 0.18778 0.00000 1.00000 0.00701 O1 0.00000 0.00000 0.76587 1.00000 0.00910 O2 0.06071 0.12141 0.48914 1.00000 0.00886 O3 0.25659 0.12830 0.50995 1.00000 0.01127 O4 0.09213 0.18426 0.06973 1.00000 0.01145 O5 0.18214 0.09107 0.08701 1.00000 0.01089 O6 0.19183 0.18285 0.78271 1.00000 0.00902 O7 0.28151 0.28147 0.07441 1.00000 0.00992 O8 0.20666 0.26751 0.43882 1.00000 0.01122 H3 0.26430 0.13210 0.38600 1.00000 0.01700 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 0.02550 0.02550 0.02440 0.01280 0.00000 0.00000 VY 0.00730 0.00670 0.01020 0.00360 -0.00100 -0.00050 VZ 0.00590 0.00650 0.00750 0.00300 0.00002 0.00050 MgZ 0.00590 0.00650 0.00750 0.00300 0.00002 0.00050 B 0.00740 0.00860 0.01110 0.00430 0.00070 0.00150 SiT 0.00640 0.00590 0.00880 0.00300 -0.00030 -0.00040 O1 0.00890 0.00890 0.00950 0.00440 0.00000 0.00000 O2 0.00810 0.00660 0.01130 0.00330 0.00090 0.00170 O3 0.01280 0.01180 0.00950 0.00640 0.00090 0.00040 O4 0.00890 0.01640 0.01150 0.00820 -0.00050 -0.00110 O5 0.01590 0.00850 0.01080 0.00800 0.00140 0.00070 O6 0.01000 0.00830 0.00850 0.00440 -0.00040 -0.00070 O7 0.00820 0.00740 0.01110 0.00160 -0.00120 -0.00140 O8 0.00560 0.00980 0.01760 0.00330 0.00100 0.00380