Materials Data on Ca2B4Rh5 by Materials Project

Abstract

Ca2Rh5B4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to ten Rh and six equivalent B atoms. There are a spread of Ca–Rh bond distances ranging from 3.07–3.25 Å. There are two shorter (3.01 Å) and four longer (3.19 Å) Ca–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.17 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.20 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.12 Å. B is bonded in a 5-coordinate geometry to three equivalent Ca and five Rh atoms.