Materials Data on HfCoSn by Materials Project

Abstract

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.