data_global _chemical_name_mineral 'Fluor-tsilaisite' loop_ _publ_author_name 'Bosi F' 'Andreozzi G B' 'Agrosi G' 'Scandale E' _journal_name_full 'Mineralogical Magazine' _journal_volume 79 _journal_year 2015 _journal_page_first 89 _journal_page_last 101 _publ_section_title ; Fluor-tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3F, a new tourmaline from San Piero in Campo (Elba, Italy) and new data on tsilaisitic tourmaline from the holotype specimen locality Note: Sample CB1b, Split-site SREF ; _database_code_amcsd 0020624 _chemical_compound_source 'Grotta d'Oggi, San Piero in Campo, Elba Island, Italy' _chemical_formula_sum 'Na.609 Ca.014 K.005 Mn1.653 Al7.038 Li.306 Ti.041 Fe.027 B3 Si5.937 O30.654 F.346 H3' _cell_length_a 15.9619 _cell_length_b 15.9691 _cell_length_c 7.1426 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1576.710 _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 _atom_site_U_iso_or_equiv Na 0.00000 0.00000 0.22630 0.60900 0.02600 Ca 0.00000 0.00000 0.22630 0.01430 0.02600 K 0.00000 0.00000 0.22630 0.00460 0.02600 MnY 0.12435 0.06218 0.62283 0.48900 0.01182 AlY 0.12435 0.06218 0.62283 0.38700 0.01182 LiY 0.12435 0.06218 0.62283 0.10190 0.01182 TiY 0.12435 0.06218 0.62283 0.01370 0.01182 FeY 0.12435 0.06218 0.62283 0.00900 0.01182 AlZ 0.29815 0.26144 0.61085 0.96900 0.00620 MnZ 0.29815 0.26144 0.61085 0.03100 0.00620 B 0.11012 0.22024 0.45410 1.00000 0.00700 Si 0.19184 0.18987 0.00000 0.98950 0.00467 AlT 0.19184 0.18987 0.00000 0.01050 0.00467 O1 0.01990 0.00995 0.77830 0.21790 0.01210 F1 0.01990 0.00995 0.77830 0.11540 0.01210 O2 0.07173 0.12324 0.48280 0.50000 0.00860 O3 0.26855 0.13428 0.50980 1.00000 0.01190 H3 0.25900 0.12950 0.40000 1.00000 0.01800 O4 0.09362 0.18724 0.06920 1.00000 0.00830 O5 0.18711 0.09355 0.09130 1.00000 0.00870 O6 0.19741 0.18721 0.77540 1.00000 0.00763 O7 0.28525 0.28572 0.07943 1.00000 0.00643 O8 0.20996 0.27103 0.44122 1.00000 0.00808 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 Na 0.02770 0.02770 0.02280 0.01380 0.00000 0.00000 Ca 0.02770 0.02770 0.02280 0.01380 0.00000 0.00000 K 0.02770 0.02770 0.02280 0.01380 0.00000 0.00000 MnY 0.01010 0.00761 0.01850 0.00507 -0.00315 -0.00157 AlY 0.01010 0.00761 0.01850 0.00507 -0.00315 -0.00157 LiY 0.01010 0.00761 0.01850 0.00507 -0.00315 -0.00157 TiY 0.01010 0.00761 0.01850 0.00507 -0.00315 -0.00157 FeY 0.01010 0.00761 0.01850 0.00507 -0.00315 -0.00157 AlZ 0.00649 0.00700 0.00520 0.00346 -0.00014 0.00057 MnZ 0.00649 0.00700 0.00520 0.00346 -0.00014 0.00057 B 0.00770 0.00660 0.00630 0.00330 0.00000 0.00000 Si 0.00463 0.00463 0.00482 0.00236 -0.00012 -0.00042 AlT 0.00463 0.00463 0.00482 0.00236 -0.00012 -0.00042 O3 0.02440 0.01100 0.00480 0.01220 -0.00030 -0.00010 O4 0.00640 0.01230 0.00820 0.00620 -0.00060 -0.00130 O5 0.01410 0.00660 0.00790 0.00700 0.00120 0.00060 O6 0.00830 0.00970 0.00410 0.00390 -0.00010 -0.00060 O7 0.00570 0.00580 0.00570 0.00140 -0.00010 -0.00080 O8 0.00570 0.01170 0.00790 0.00520 0.00080 0.00280