Materials Data on UCo4B by Materials Project

Abstract

UCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a distorted hexagonal planar geometry to six equivalent Co atoms. All U–Co bond lengths are 2.82 Å. In the second U site, U is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All U–Co bond lengths are 2.84 Å. All U–B bond lengths are 2.82 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent U and nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoU3Co9 cuboctahedra. There are six shorter (2.44 Å) and three longer (2.82 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent U, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.03 Å. B is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Co atoms.