Materials Data on LuPO2 by Materials Project
LuPO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Lu is bonded to six equivalent O atoms to form edge-sharing LuO6 octahedra. There are a spread of Lu–O bond distances ranging from 2.23–2.29 Å. P is bonded in a square co-planar geometry to four equivalent O atoms. There are two shorter (2.27 Å) and two longer (2.32 Å) P–O bond lengths. O is bonded to three equivalent Lu and two equivalent P atoms to form a mixture of distorted corner and edge-sharing OLu3P2 trigonal bipyramids.
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