data_global _chemical_name_mineral 'Oxy-dravite' loop_ _publ_author_name 'Bosi F' 'Skogby H' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 1442 _journal_page_last 1448 _publ_section_title ; Oxy-dravite, Na(Al2Mg)(Al5Mg)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup ; _database_code_amcsd 0020259 _chemical_compound_source 'Osarara, Narok district, Kenya' _chemical_formula_sum 'Na.83 K.02 Al6.291 Mg2.061 Fe.627 Ti.021 B3 Si6 O31 H3.24' _cell_length_a 15.9273 _cell_length_b 15.9273 _cell_length_c 7.20010 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1581.807 _exptl_crystal_density_diffrn 3.073 _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 0.22939 0.83000 0.02230 KX 0.00000 0.00000 0.22939 0.02000 0.02230 AlY 0.12223 0.06112 0.63657 0.44700 0.00881 MgY 0.12223 0.06112 0.63657 0.34300 0.00881 FeY 0.12223 0.06112 0.63657 0.20300 0.00881 TiY 0.12223 0.06112 0.63657 0.00700 0.00881 AlZ 0.29768 0.26149 0.61014 0.82500 0.00552 MgZ 0.29768 0.26149 0.61014 0.17200 0.00552 FeZ 0.29768 0.26149 0.61014 0.00300 0.00552 B 0.10989 0.21978 0.45430 1.00000 0.00626 Si 0.19153 0.18963 0.00000 1.00000 0.00490 O1 0.00000 0.00000 0.76980 0.76000 0.01100 O-H1 0.00000 0.00000 0.76980 0.24000 0.01100 O2 0.06076 0.12151 0.48724 1.00000 0.00918 O3 0.26112 0.13056 0.50994 1.00000 0.01206 H3 0.24530 0.12270 0.39600 1.00000 0.01800 O4 0.09356 0.18712 0.07152 1.00000 0.00936 O5 0.18445 0.09223 0.09252 1.00000 0.00900 O6 0.19447 0.18433 0.77729 1.00000 0.00751 O7 0.28509 0.28474 0.07754 1.00000 0.00776 O8 0.20920 0.27005 0.43936 1.00000 0.00909 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 0.02170 0.02170 0.02350 0.01080 0.00000 0.00000 KX 0.02170 0.02170 0.02350 0.01080 0.00000 0.00000 AlY 0.00895 0.00675 0.01145 0.00448 -0.00316 -0.00158 MgY 0.00895 0.00675 0.01145 0.00448 -0.00316 -0.00158 FeY 0.00895 0.00675 0.01145 0.00448 -0.00316 -0.00158 TiY 0.00895 0.00675 0.01145 0.00448 -0.00316 -0.00158 AlZ 0.00531 0.00536 0.00583 0.00262 -0.00008 0.00039 MgZ 0.00531 0.00536 0.00583 0.00262 -0.00008 0.00039 FeZ 0.00531 0.00536 0.00583 0.00262 -0.00008 0.00039 B 0.00540 0.00600 0.00760 0.00300 0.00027 0.00050 Si 0.00458 0.00429 0.00590 0.00226 -0.00054 -0.00061 O1 0.01270 0.01270 0.00750 0.00637 0.00000 0.00000 O-H1 0.01270 0.01270 0.00750 0.00637 0.00000 0.00000 O2 0.01120 0.00420 0.00980 0.00210 0.00044 0.00090 O3 0.02210 0.01240 0.00490 0.01100 0.00080 0.00040 O4 0.00700 0.01400 0.00940 0.00699 -0.00075 -0.00150 O5 0.01480 0.00660 0.00830 0.00740 0.00160 0.00080 O6 0.00900 0.00890 0.00540 0.00505 -0.00081 -0.00140 O7 0.00640 0.00530 0.00840 0.00047 -0.00179 -0.00106 O8 0.00390 0.00880 0.01400 0.00275 0.00051 0.00227