data_global _chemical_name_mineral 'Olenite' loop_ _publ_author_name 'Bosi F' 'Lucchesi S' _journal_name_full 'European Journal of Mineralogy' _journal_volume 16 _journal_year 2004 _journal_page_first 335 _journal_page_last 344 _publ_section_title ; Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl3l ; _database_code_amcsd 0007052 _chemical_compound_source 'Cruziero, Minas Gerais, Brazil' _chemical_formula_sum 'Na.727 K.006 Al6.39 Fe1.665 Mg.906 Ti.048 Mn.024 Zn.018 Li.006 Si5.94 B3 O30.793 F.207 H3' _cell_length_a 15.9669 _cell_length_b 15.9669 _cell_length_c 7.1745 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1584.030 _exptl_crystal_density_diffrn 3.170 _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 0.22897 0.72700 KX 0.00000 0.00000 0.22897 0.00600 AlY 0.12422 0.06211 0.63022 0.31600 Fe3+Y 0.12422 0.06211 0.63022 0.24700 Fe2+Y 0.12422 0.06211 0.63022 0.24200 MgY 0.12422 0.06211 0.63022 0.16200 Ti4+Y 0.12422 0.06211 0.63022 0.01600 Mn2+Y 0.12422 0.06211 0.63022 0.00800 ZnY 0.12422 0.06211 0.63022 0.00600 LiY 0.12422 0.06211 0.63022 0.00200 AlZ 0.29831 0.26168 0.61102 0.89700 MgZ 0.29831 0.26168 0.61102 0.07000 Fe2+Z 0.29831 0.26168 0.61102 0.03300 SiT 0.19182 0.18987 0.00000 0.99000 AlT 0.19182 0.18987 0.00000 0.01000 B 0.11007 0.22014 0.45534 1.00000 O1W 0.00000 0.00000 0.77774 0.79300 F1W 0.00000 0.00000 0.77774 0.20700 O2 0.06133 0.12266 0.48563 1.00000 O-H3V 0.26698 0.13349 0.51063 1.00000 O4 0.09320 0.18640 0.06915 1.00000 O5 0.18598 0.09299 0.09163 1.00000 O6 0.19714 0.18675 0.77649 1.00000 O7 0.28507 0.28537 0.07928 1.00000 O8 0.20970 0.27053 0.44096 1.00000