data_global _chemical_name_mineral 'Oxy-chromium-dravite' loop_ _publ_author_name 'Bosi F' 'Reznitskii L' 'Skogby H' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 2024 _journal_page_last 2030 _publ_section_title ; Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup ; _database_code_amcsd 0019734 _chemical_compound_source 'Pereval marble quarry, Sludyanka, Lake Baikal, Russia' _chemical_formula_sum 'Na Cr5.322 V.87 Mg2.073 Ti.039 Al.798 B3 Si5.898 O30.54 F.46 H2.67' _cell_length_a 16.1121 _cell_length_b 16.1121 _cell_length_c 7.3701 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1656.946 _exptl_crystal_density_diffrn 3.355 _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 0.22700 1.00000 0.02400 CrY 0.12308 0.06154 0.63874 0.65000 0.00487 VY 0.12308 0.06154 0.63874 0.29000 0.00487 MgY 0.12308 0.06154 0.63874 0.04700 0.00487 TiY 0.12308 0.06154 0.63874 0.01300 0.00487 CrZ 0.29760 0.26147 0.60855 0.56200 0.00455 MgZ 0.29760 0.26147 0.60855 0.32200 0.00455 AlZ 0.29760 0.26147 0.60855 0.11600 0.00455 B 0.10930 0.21861 0.45480 1.00000 0.00630 Si 0.18944 0.18776 0.00000 0.98300 0.00489 Al 0.18944 0.18776 0.00000 0.01700 0.00489 O1 0.00000 0.00000 0.76490 0.54000 0.00590 F1 0.00000 0.00000 0.76490 0.46000 0.00590 O2 0.06015 0.12030 0.49116 1.00000 0.00532 O3 0.25501 0.12751 0.50900 1.00000 0.00814 H3 0.25070 0.12530 0.37600 0.89000 0.01200 O4 0.09250 0.18500 0.07148 1.00000 0.00910 O5 0.18209 0.09105 0.09007 1.00000 0.00848 O6 0.19072 0.18146 0.78133 1.00000 0.00620 O7 0.28246 0.28199 0.07220 1.00000 0.00794 O8 0.20649 0.26678 0.43700 1.00000 0.00893 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 0.02120 0.01270 0.00000 0.00000 CrY 0.00427 0.00430 0.00604 0.00213 -0.00037 -0.00019 VY 0.00427 0.00430 0.00604 0.00213 -0.00037 -0.00019 MgY 0.00427 0.00430 0.00604 0.00213 -0.00037 -0.00019 TiY 0.00427 0.00430 0.00604 0.00213 -0.00037 -0.00019 CrZ 0.00414 0.00464 0.00480 0.00215 -0.00014 0.00033 MgZ 0.00414 0.00464 0.00480 0.00215 -0.00014 0.00033 AlZ 0.00414 0.00464 0.00480 0.00215 -0.00014 0.00033 B 0.00540 0.00560 0.00800 0.00280 0.00040 0.00080 Si 0.00451 0.00431 0.00567 0.00208 -0.00024 -0.00035 Al 0.00451 0.00431 0.00567 0.00208 -0.00024 -0.00035 O1 0.00480 0.00480 0.00800 0.00240 0.00000 0.00000 F1 0.00480 0.00480 0.00800 0.00240 0.00000 0.00000 O2 0.00440 0.00410 0.00740 0.00210 0.00066 0.00130 O3 0.00960 0.00890 0.00620 0.00480 0.00130 0.00064 O4 0.00680 0.01500 0.00830 0.00750 -0.00020 -0.00040 O5 0.01380 0.00600 0.00810 0.00690 0.00070 0.00035 O6 0.00750 0.00600 0.00460 0.00300 -0.00010 -0.00050 O7 0.00670 0.00590 0.00840 0.00110 -0.00160 -0.00150 O8 0.00510 0.00850 0.01320 0.00340 0.00070 0.00350