Materials Data on LiHoF2 by Materials Project
LiHoF2 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 2.45 Å. Ho is bonded to six equivalent F atoms to form distorted edge-sharing HoF6 octahedra. There are two shorter (2.34 Å) and four longer (2.38 Å) Ho–F bond lengths. F is bonded in a 5-coordinate geometry to two equivalent Li and three equivalent Ho atoms.
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