Materials Data on Li2B2Rh3 by Materials Project

Abstract

Li2Rh3B2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Li is bonded in a 9-coordinate geometry to one Li, six Rh, and two equivalent B atoms. The Li–Li bond length is 2.33 Å. There are a spread of Li–Rh bond distances ranging from 2.55–2.74 Å. There are one shorter (2.49 Å) and one longer (2.51 Å) Li–B bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Li and four equivalent B atoms. There are two shorter (2.18 Å) and two longer (2.21 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent B atoms. All Rh–B bond lengths are 2.18 Å. B is bonded in a 8-coordinate geometry to two equivalent Li and six Rh atoms.