Materials Data on Hf4Al3 by Materials Project
Hf4Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 8-coordinate geometry to eight Hf and six equivalent Al atoms. There are a spread of Hf–Hf bond distances ranging from 2.61–3.36 Å. All Hf–Al bond lengths are 3.02 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to nine Hf and six equivalent Al atoms. All Hf–Hf bond lengths are 3.09 Å. All Hf–Al bond lengths are 3.12 Å. Al is bonded to eight Hf and four equivalent Al atoms to form a mixture of edge, corner, and face-sharing AlHf8Al4 cuboctahedra. All Al–Al bond lengths are 2.68 Å.
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