data_global _chemical_name_mineral 'Dravite' loop_ _publ_author_name 'Foit F F' 'Rosenberg P E' _journal_name_full 'American Mineralogist' _journal_volume 64 _journal_year 1979 _journal_page_first 788 _journal_page_last 798 _publ_section_title ; The structure of vanadium-bearing tourmaline and its implications regarding tourmaline solid solutions ; _database_code_amcsd 0000739 _chemical_compound_source 'Silver Knob, Mariposa County, California, USA' _chemical_formula_sum 'Na.46 Ca.36 Mg2.04 V1.11 Cr.18 Fe.18 Al5.94 Ti.06 Si5.64 B3 O31 H4' _cell_length_a 15.967 _cell_length_b 15.967 _cell_length_c 7.191 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1587.693 _exptl_crystal_density_diffrn 3.152 _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 NaX 0.00000 0.00000 0.21764 0.46000 CaX 0.00000 0.00000 0.21764 0.36000 MgX 0.00000 0.00000 0.21764 0.18000 MgY 0.12353 0.06177 0.63364 0.62000 VY 0.12353 0.06177 0.63364 0.25000 CrY 0.12353 0.06177 0.63364 0.06000 FeY 0.12353 0.06177 0.63364 0.06000 AlZ 0.29782 0.26152 0.61011 0.93000 VZ 0.29782 0.26152 0.61011 0.06000 TiZ 0.29782 0.26152 0.61011 0.01000 SiT 0.19173 0.18990 0.00000 0.94000 AlT 0.19173 0.18990 0.00000 0.06000 B 0.10976 0.21952 0.45178 1.00000 O-H1 0.00000 0.00000 0.77026 1.00000 O2 0.06085 0.12170 0.48140 1.00000 O3 0.26387 0.13194 0.50919 1.00000 O4 0.09306 0.18612 0.07162 1.00000 O5 0.18444 0.09222 0.09256 1.00000 O6 0.19548 0.18576 0.77616 1.00000 O7 0.28559 0.28536 0.07803 1.00000 O8 0.20903 0.26984 0.43879 1.00000 H3 0.26150 0.13075 0.39010 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 0.01899 0.01899 0.01755 0.00949 0.00000 0.00000 CaX 0.01899 0.01899 0.01755 0.00949 0.00000 0.00000 MgX 0.01899 0.01899 0.01755 0.00949 0.00000 0.00000 MgY 0.00562 0.00407 0.00802 0.00281 -0.00237 -0.00118 VY 0.00562 0.00407 0.00802 0.00281 -0.00237 -0.00118 CrY 0.00562 0.00407 0.00802 0.00281 -0.00237 -0.00118 FeY 0.00562 0.00407 0.00802 0.00281 -0.00237 -0.00118 AlZ 0.00426 0.00494 0.00474 0.00213 0.00005 0.00055 VZ 0.00426 0.00494 0.00474 0.00213 0.00005 0.00055 TiZ 0.00426 0.00494 0.00474 0.00213 0.00005 0.00055 SiT 0.00378 0.00378 0.00503 0.00174 -0.00010 -0.00045 AlT 0.00378 0.00378 0.00503 0.00174 -0.00010 -0.00045 B 0.00446 0.00397 0.00726 0.00199 -0.00005 -0.00010 O-H1 0.01095 0.01095 0.00893 0.00547 0.00000 0.00000 O2 0.00959 0.00465 0.01417 0.00232 0.00055 0.00111 O3 0.01811 0.01007 0.00634 0.00906 0.00055 0.00028 O4 0.00727 0.01521 0.01043 0.00760 -0.00071 -0.00141 O5 0.01744 0.00688 0.01100 0.00872 0.00020 0.00010 O6 0.00843 0.00794 0.00571 0.00426 -0.00040 -0.00106 O7 0.00707 0.00610 0.00770 0.00136 -0.00151 -0.00076 O8 0.00349 0.00775 0.01268 0.00262 0.00096 0.00201