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Materials Data on HfZrW4 by Materials Project

HfZrW4 is Cubic 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 Zr and twelve equivalent W atoms. All Hf–Zr bond lengths are 3.31 Å. All Hf–W bond lengths are 3.17 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent W atoms. All Zr–W bond lengths are 3.17 Å. W is bonded to three equivalent Hf, three equivalent Zr, and six equivalent W atoms to form a mixture of corner, edge, and face-sharing WHf3Zr3W6 cuboctahedra. All W–W bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗