LiYbAlF6 is Hydrophilite-derived structured and crystallizes in the trigonal P-31c space group. Li(1) is bonded to six equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Yb(1)F6 octahedra and edges with three equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles are 57°. Yb(1) is bonded to six equivalent F(1) atoms to form YbF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and corners with six equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. Al(1) is bonded to six equivalent F(1) atoms to form AlF6 octahedra that share corners with six equivalent Yb(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 46°. F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Yb(1), and one Al(1) atom.
LiYbAlF6 is Hydrophilite-derived structured and crystallizes in the trigonal P-31c space group. Li(1) is bonded to six equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Yb(1)F6 octahedra and edges with three equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Li(1)-F(1) bond lengths are 2.03 Å. Yb(1) is bonded to six equivalent F(1) atoms to form YbF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and corners with six equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. All Yb(1)-F(1) bond lengths are 2.26 Å. Al(1) is bonded to six equivalent F(1) atoms to form AlF6 octahedra that share corners with six equivalent Yb(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Al(1)-F(1) bond lengths are 1.83 Å. F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Yb(1), and one Al(1) atom.