Materials Data on ThAl2Co3 by Materials Project

Abstract

ThCo3Al2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to ten Co atoms. There are a spread of Th–Co bond distances ranging from 2.82–3.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Th, four equivalent Co, and four equivalent Al atoms. All Co–Co bond lengths are 2.48 Å. All Co–Al bond lengths are 2.48 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th, five Co, and four equivalent Al atoms. There are one shorter (2.76 Å) and two longer (3.01 Å) Co–Co bond lengths. All Co–Al bond lengths are 2.55 Å. Al is bonded to six Co atoms to form a mixture of distorted edge, corner, and face-sharing AlCo6 cuboctahedra.