data_global _chemical_name_mineral 'Elbaite' loop_ _publ_author_name 'Bosi F' 'Andreozzi G B' 'Federico M' 'Graziani G' 'Lucchesi S' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 1784 _journal_page_last 1792 _publ_section_title ; Crystal chemistry of the elbaite-schorl series Sample: 61Rda ; _database_code_amcsd 0003950 _chemical_compound_source 'Cruziero pegmatite, Minas Gerais, Brazil' _chemical_formula_sum 'Na.515 Ca.04 K.009 Al7.587 Mn.029 Li1.385 Si6 B3 O30.619 F.381 H3.632' _cell_length_a 15.8343 _cell_length_b 15.8343 _cell_length_c 7.1007 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1541.805 _exptl_crystal_density_diffrn 3.010 _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 0.23271 0.51500 0.01840 CaX 0.00000 0.00000 0.23271 0.04000 0.01840 KX 0.00000 0.00000 0.23271 0.00900 0.01840 AlY 0.12327 0.06163 0.63436 0.52900 0.00650 MnY 0.12327 0.06163 0.63436 0.00970 0.00650 LiY 0.12327 0.06163 0.63436 0.46170 0.00650 AlZ 0.29672 0.25987 0.61011 1.00000 0.00498 SiT 0.19196 0.18989 0.00000 1.00000 0.00391 B 0.10906 0.21812 0.45484 1.00000 0.00550 O-H1W 0.00000 0.00000 0.78265 0.61900 0.03860 F1W 0.00000 0.00000 0.78265 0.38100 0.03860 O2 0.06017 0.12034 0.48937 0.99570 0.01430 O-H2 0.06017 0.12034 0.48937 0.00430 0.01430 O3V 0.26567 0.13284 0.50772 1.00000 0.01120 O4 0.09354 0.18708 0.07289 1.00000 0.00750 O5 0.18713 0.09357 0.09540 1.00000 0.00780 O6 0.19543 0.18500 0.77522 1.00000 0.00640 O7 0.28621 0.28605 0.07882 1.00000 0.00540 O8 0.20944 0.26987 0.43952 1.00000 0.00670 H3 0.25900 0.12950 0.35700 1.00000 0.18000