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, Standard SREF ; _database_code_amcsd 0020623 _chemical_compound_source 'Grotta d'Oggi, San Piero in Campo, Elba Island, Italy' _chemical_formula_sum 'Na1.842 Ca.043 K.014 Mn4.887 Al21.186 Li.917 Ti.123 Fe.081 B9 Si17.811 O91.961 F1.039 H17' _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 3.167 _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 0.22570 0.61400 0.02690 Ca 0.00000 0.00000 0.22570 0.01430 0.02690 K 0.00000 0.00000 0.22570 0.00460 0.02690 MnY 0.12432 0.06216 0.62286 0.48100 0.01170 AlY 0.12432 0.06216 0.62286 0.39500 0.01170 LiY 0.12432 0.06216 0.62286 0.10190 0.01170 TiY 0.12432 0.06216 0.62286 0.01370 0.01170 FeY 0.12432 0.06216 0.62286 0.00900 0.01170 AlZ 0.29816 0.26145 0.61080 0.96900 0.00625 MnZ 0.29816 0.26145 0.61080 0.03100 0.00625 B 0.11012 0.22025 0.45410 1.00000 0.00680 Si 0.19185 0.18988 0.00000 0.98950 0.00476 AlT 0.19185 0.18988 0.00000 0.01050 0.00476 O1 0.00000 0.00000 0.77800 0.65370 0.04410 F1 0.00000 0.00000 0.77800 0.34630 0.04410 O2 0.06157 0.12315 0.48270 1.00000 0.01970 O3 0.26844 0.13422 0.50980 1.00000 0.01210 H3 0.26000 0.13010 0.39400 1.00000 0.01800 O4 0.09366 0.18732 0.06930 1.00000 0.00840 O5 0.18713 0.09357 0.09130 1.00000 0.00880 O6 0.19745 0.18725 0.77534 1.00000 0.00769 O7 0.28527 0.28572 0.07944 1.00000 0.00650 O8 0.20999 0.27099 0.44110 1.00000 0.00816 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 0.02880 0.02880 0.02330 0.01440 0.00000 0.00000 Ca 0.02880 0.02880 0.02330 0.01440 0.00000 0.00000 K 0.02880 0.02880 0.02330 0.01440 0.00000 0.00000 MnY 0.01010 0.00757 0.01820 0.00507 -0.00314 -0.00157 AlY 0.01010 0.00757 0.01820 0.00507 -0.00314 -0.00157 LiY 0.01010 0.00757 0.01820 0.00507 -0.00314 -0.00157 TiY 0.01010 0.00757 0.01820 0.00507 -0.00314 -0.00157 FeY 0.01010 0.00757 0.01820 0.00507 -0.00314 -0.00157 AlZ 0.00643 0.00703 0.00540 0.00342 -0.00012 0.00056 MnZ 0.00643 0.00703 0.00540 0.00342 -0.00012 0.00056 B 0.00740 0.00570 0.00670 0.00290 0.00000 0.00000 Si 0.00481 0.00467 0.00484 0.00239 -0.00017 -0.00042 AlT 0.00481 0.00467 0.00484 0.00239 -0.00017 -0.00042 O1 0.06200 0.06200 0.00830 0.03100 0.00000 0.00000 F1 0.06200 0.06200 0.00830 0.03100 0.00000 0.00000 O2 0.03180 0.00540 0.01310 0.00270 0.00030 0.00050 O3 0.02490 0.01110 0.00500 0.01240 -0.00030 -0.00020 O4 0.00650 0.01290 0.00810 0.00640 -0.00070 -0.00130 O5 0.01400 0.00680 0.00800 0.00700 0.00170 0.00080 O6 0.00840 0.00960 0.00440 0.00400 0.00020 -0.00040 O7 0.00590 0.00600 0.00560 0.00150 -0.00010 -0.00070 O8 0.00580 0.01160 0.00820 0.00520 0.00070 0.00290