Materials Data on LaB4Rh7 by Materials Project

Abstract

LaRh7B4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to two equivalent La, twelve Rh, and six B atoms. Both La–La bond lengths are 2.92 Å. There are a spread of La–Rh bond distances ranging from 3.16–3.27 Å. There are a spread of La–B bond distances ranging from 3.22–3.25 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a square co-planar geometry to four equivalent Rh and four equivalent B atoms. There are two shorter (3.13 Å) and two longer (3.19 Å) Rh–Rh bond lengths. All Rh–B bond lengths are 2.18 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent La and four equivalent B atoms. All Rh–B bond lengths are 2.18 Å. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent La, two equivalent Rh, and four B atoms. Both Rh–Rh bond lengths are 3.07 Å. There are two shorter (2.18 Å) and two longer (2.19 Å) Rh–B bond lengths. In the fourth Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent La, two equivalent Rh, and four B atoms. Both Rh–Rh bond lengths are 3.04 Å. There are two shorter (2.17 Å) and two longer (2.18 Å) Rh–B bond lengths. In the fifth Rh site, Rh is bonded in a 2-coordinate geometry to fourteen Rh atoms. Both Rh–Rh bond lengths are 2.92 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one La and six Rh atoms. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent La and six Rh atoms.