LiYbF2 crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. Yb(1) is bonded to six equivalent F(1) atoms to form distorted edge-sharing YbF6 octahedra. F(1) is bonded to two equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of distorted corner and edge-sharing FLi2Yb3 trigonal bipyramids.
LiYbF2 crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. All Li(1)-F(1) bond lengths are 2.47 Å. Yb(1) is bonded to six equivalent F(1) atoms to form distorted edge-sharing YbF6 octahedra. There are four shorter (2.29 Å) and two longer (2.33 Å) Yb(1)-F(1) bond lengths. F(1) is bonded to two equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of distorted corner and edge-sharing FLi2Yb3 trigonal bipyramids.