Materials Data on La3(GaRh)2 by Materials Project

Abstract

La3(RhGa)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to four equivalent Rh and five Ga atoms. There are two shorter (3.21 Å) and two longer (3.24 Å) La–Rh bond lengths. There are a spread of La–Ga bond distances ranging from 3.13–3.42 Å. In the second La site, La is bonded in a 7-coordinate geometry to four equivalent Rh and five Ga atoms. There are a spread of La–Rh bond distances ranging from 2.91–3.30 Å. There are a spread of La–Ga bond distances ranging from 3.25–3.46 Å. Rh is bonded in a 9-coordinate geometry to six La and three Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.59–2.70 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven La and two equivalent Rh atoms. In the second Ga site, Ga is bonded to eight La and four equivalent Rh atoms to form a mixture of distorted face, edge, and corner-sharing GaLa8Rh4 cuboctahedra.