Materials Data on HfTiMo4 by Materials Project
HfTiMo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ti and twelve equivalent Mo atoms. All Hf–Ti bond lengths are 3.25 Å. All Hf–Mo bond lengths are 3.12 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Mo atoms. All Ti–Mo bond lengths are 3.11 Å. Mo is bonded to three equivalent Hf, three equivalent Ti, and six equivalent Mo atoms to form a mixture of edge, face, and corner-sharing MoHf3Ti3Mo6 cuboctahedra. There are three shorter (2.65 Å) and three longer (2.66 Å) Mo–Mo bond lengths.
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