Materials Data on TiBeB by Materials Project
BeTiB crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Be is bonded in a trigonal planar geometry to six equivalent Ti and three equivalent B atoms. All Be–Ti bond lengths are 2.46 Å. All Be–B bond lengths are 1.89 Å. Ti is bonded to six equivalent Be and six equivalent B atoms to form a mixture of edge and face-sharing TiBe6B6 cuboctahedra. All Ti–B bond lengths are 2.46 Å. B is bonded in a distorted trigonal planar geometry to three equivalent Be and six equivalent Ti atoms.
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