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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Hf5CuSn3 by Materials Project

Hf5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Hf–Sn bond lengths are 3.03 Å. In the second Hf site, Hf is bonded to two equivalent Cu and five equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing HfCu2Sn5 pentagonal bipyramids. Both Hf–Cu bond lengths are 2.69 Å. There are a spread of Hf–Sn bond distances ranging from 2.94–3.11 Å. Cu is bonded to six equivalent Hf atoms to form face-sharing CuHf6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfCuSn by Materials Project

HfCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to two equivalent Hf, six equivalent Cu, and six equivalent Sn atoms. Both Hf–Hf bond lengths are 3.20 Å. There are three shorter (2.89 Å) and three longer (3.24 Å) Hf–Cu bond lengths. There are three shorter (3.03 Å) and three longer (3.07 Å) Hf–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Sn atoms. There are three shorter (2.62 Å) and one longer (2.82 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗