Materials Data on TaTiBe4 by Materials Project
Be4TiTa is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be is bonded to six equivalent Be, three equivalent Ti, and three equivalent Ta atoms to form a mixture of corner, edge, and face-sharing BeTa3Ti3Be6 cuboctahedra. There are three shorter (2.28 Å) and three longer (2.29 Å) Be–Be bond lengths. All Be–Ti bond lengths are 2.68 Å. All Be–Ta bond lengths are 2.68 Å. Ti is bonded in a 12-coordinate geometry to twelve equivalent Be and four equivalent Ta atoms. All Ti–Ta bond lengths are 2.80 Å. Ta is bonded in a 12-coordinate geometry to twelve equivalent Be and four equivalent Ti atoms.
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