data_global _chemical_name_mineral 'Foitite' loop_ _publ_author_name 'MacDonald D J' 'Hawthorne F C' 'Grice J D' _journal_name_full 'American Mineralogist' _journal_volume 78 _journal_year 1993 _journal_page_first 1299 _journal_page_last 1303 _publ_section_title ; Foitite, _[Fe2(Al,Fe)]Al6Si6O18(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure ; _database_code_amcsd 0001622 _chemical_compound_source 'likely White Queen mine, San Diego County, California, USA' _chemical_formula_sum 'Na.25 Al6.891 Fe1.599 Mn.24 Mg.051 Li.219 Si6 B3 (O31 H4)' _cell_length_a 15.967 _cell_length_b 15.967 _cell_length_c 7.126 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1573.342 _exptl_crystal_density_diffrn 3.160 _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 0.84080 0.25000 AlY 0.06223 0.93777 0.44850 0.33300 FeY 0.06223 0.93777 0.44850 0.49700 MnY 0.06223 0.93777 0.44850 0.08000 MgY 0.06223 0.93777 0.44850 0.01700 LiY 0.06223 0.93777 0.44850 0.07300 AlZ 0.26151 0.29827 0.46230 0.98200 FeZ 0.26151 0.29827 0.46230 0.01800 SiT 0.18988 0.19193 0.07300 1.00000 B 0.88981 0.11019 0.61770 1.00000 O-H1 0.00000 0.00000 0.29310 1.00000 O2 0.93776 0.06224 0.58530 1.00000 O-H3 0.13427 0.86573 0.56490 1.00000 O4 0.90631 0.09369 0.00580 1.00000 O5 0.09452 0.90548 -0.01790 1.00000 O6 0.18786 0.19831 0.29770 1.00000 O7 0.28601 0.28512 -0.00660 1.00000 O8 0.27138 0.21049 0.63190 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 0.02820 0.02820 0.02370 0.01410 0.00000 0.00000 AlY 0.00600 0.00600 0.01220 0.00210 0.00050 -0.00050 FeY 0.00600 0.00600 0.01220 0.00210 0.00050 -0.00050 MnY 0.00600 0.00600 0.01220 0.00210 0.00050 -0.00050 MgY 0.00600 0.00600 0.01220 0.00210 0.00050 -0.00050 LiY 0.00600 0.00600 0.01220 0.00210 0.00050 -0.00050 AlZ 0.00690 0.00610 0.00560 0.00330 -0.00050 -0.00030 FeZ 0.00690 0.00610 0.00560 0.00330 -0.00050 -0.00030 SiT 0.00460 0.00470 0.00560 0.00210 0.00030 0.00020 B 0.00880 0.00880 0.00730 0.00380 -0.00020 0.00020 O-H1 0.04320 0.04320 0.00750 0.02160 0.00000 0.00000 O2 0.03030 0.03030 0.01210 0.02530 0.00010 -0.00010 O-H3 0.01040 0.01040 0.00580 0.00020 0.00070 -0.00070 O4 0.00760 0.00760 0.00850 0.00080 -0.00050 0.00050 O5 0.00740 0.00740 0.00790 -0.00020 -0.00090 0.00090 O6 0.00850 0.00760 0.00500 0.00240 0.00060 -0.00030 O7 0.00560 0.00640 0.00780 0.00140 0.00170 0.00040 O8 0.01170 0.00730 0.00930 0.00580 -0.00300 -0.00080