Materials Data on ThCo5 by Materials Project

Abstract

ThCo5 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of one ThCo5 sheet oriented in the (0, 0, 1) direction. Th is bonded in a hexagonal planar geometry to six Co atoms. There are two shorter (3.48 Å) and four longer (3.49 Å) Th–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a trigonal planar geometry to three Co atoms. All Co–Co bond lengths are 2.02 Å. In the second Co site, Co is bonded in a square co-planar geometry to two equivalent Th and two equivalent Co atoms. In the third Co site, Co is bonded in a square co-planar geometry to two equivalent Th and two equivalent Co atoms.