Materials Data on Lu2(B2Rh3)3 by Materials Project

Abstract

Lu2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to one Lu, twelve Rh, and six equivalent B atoms. The Lu–Lu bond length is 3.49 Å. There are six shorter (3.01 Å) and six longer (3.29 Å) Lu–Rh bond lengths. All Lu–B bond lengths are 3.24 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Lu and four B atoms. There are two shorter (2.15 Å) and two longer (2.16 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Lu and four equivalent B atoms. All Rh–B bond lengths are 2.16 Å. There are two inequivalent B sites. In the first B site, B is bonded to six equivalent Rh atoms to form distorted edge-sharing BRh6 pentagonal pyramids. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Lu and six Rh atoms.