Materials Data on Zn7Sb8Ru9 by Materials Project

Abstract

Ru9Zn7Sb8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded in an octahedral geometry to six equivalent Sb atoms. All Ru–Sb bond lengths are 2.71 Å. In the second Ru site, Ru is bonded in a distorted body-centered cubic geometry to four Zn and four Sb atoms. There are one shorter (2.57 Å) and three longer (2.61 Å) Ru–Zn bond lengths. There are one shorter (2.63 Å) and three longer (2.77 Å) Ru–Sb bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Ru and six Sb atoms. There are two shorter (3.00 Å) and four longer (3.02 Å) Zn–Sb bond lengths. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to four equivalent Ru and six equivalent Zn atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to five Ru and four equivalent Zn atoms.