Materials Data on GaAsRh4 by Materials Project

Abstract

Rh4GaAs crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to four equivalent Ga and one As atom. There are two shorter (2.59 Å) and two longer (2.82 Å) Rh–Ga bond lengths. The Rh–As bond length is 2.52 Å. In the second Rh site, Rh is bonded in a 3-coordinate geometry to one Ga and two equivalent As atoms. The Rh–Ga bond length is 2.62 Å. Both Rh–As bond lengths are 2.53 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ga and two equivalent As atoms. Both Rh–Ga bond lengths are 2.62 Å. There are one shorter (2.50 Å) and one longer (2.52 Å) Rh–As bond lengths. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to three equivalent Ga and two equivalent As atoms. There are a spread of Rh–Ga bond distances ranging from 2.51–3.10 Å. Both Rh–As bond lengths are 2.48 Å. Ga is bonded in a 10-coordinate geometry to ten Rh atoms. As is bonded in a 7-coordinate geometry to seven Rh atoms.