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