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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfCo2Sn by Materials Project

HfCo2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Sn atoms. All Hf–Co bond lengths are 2.71 Å. All Hf–Sn bond lengths are 3.13 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Hf and four equivalent Sn atoms. All Co–Sn bond lengths are 2.71 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Hf and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfCoSn by Materials Project

HfCoSn crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to five Co and six equivalent Sn atoms. There are a spread of Hf–Co bond distances ranging from 2.71–2.95 Å. There are a spread of Hf–Sn bond distances ranging from 2.98–3.10 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Sn atoms. All Co–Sn bond lengths are 2.61 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Sn atoms. All Co–Sn bond lengths are 2.65 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Hf and four Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfCoSn by Materials Project

HfCoSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to six equivalent Co and five Sn atoms. There are two shorter (2.91 Å) and four longer (3.42 Å) Hf–Co bond lengths. There are four shorter (2.88 Å) and one longer (3.07 Å) Hf–Sn bond lengths. Co is bonded in a 12-coordinate geometry to six equivalent Hf, two equivalent Co, and four Sn atoms. Both Co–Co bond lengths are 2.67 Å. There are two shorter (2.57 Å) and two longer (2.65 Å) Co–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Hf and six equivalent Co atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Co atoms.

36 MATERIALS SCIENCE↗