Materials Data on UGaRu by Materials Project

Abstract

UGaRu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to five Ru and six Ga atoms. There are four shorter (2.89 Å) and one longer (2.92 Å) U–Ru bond lengths. There are two shorter (3.09 Å) and four longer (3.24 Å) U–Ga bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Ru and six Ga atoms. There are a spread of U–Ru bond distances ranging from 2.87–2.90 Å. There are two shorter (3.10 Å) and four longer (3.24 Å) U–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to six U and three Ga atoms. All Ru–Ga bond lengths are 2.66 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to three U and six Ga atoms. There are two shorter (2.61 Å) and four longer (2.62 Å) Ru–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six U, four Ru, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.80 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six U, four Ru, and two Ga atoms. The Ga–Ga bond length is 2.79 Å.