Materials Data on LuCo4B by Materials Project

Abstract

LuCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Lu–Co bond lengths are 2.86 Å. In the second Lu site, Lu is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Lu–Co bond lengths are 2.88 Å. All Lu–B bond lengths are 2.86 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Co atoms. All Co–Co bond lengths are 2.43 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Lu, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Co atoms.