Materials Data on UGaCo by Materials Project

Abstract

UCoGa 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 11-coordinate geometry to five Co and six Ga atoms. There are one shorter (2.78 Å) and four longer (2.82 Å) U–Co bond lengths. There are two shorter (2.98 Å) and four longer (3.13 Å) U–Ga bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Co and six Ga atoms. There are a spread of U–Co bond distances ranging from 2.76–2.83 Å. There are a spread of U–Ga bond distances ranging from 3.00–3.15 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six U and three Ga atoms. All Co–Ga bond lengths are 2.56 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three U and six Ga atoms. There are two shorter (2.53 Å) and four longer (2.55 Å) Co–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six U, four Co, and two equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaU6Ga2Co4 cuboctahedra. Both Ga–Ga bond lengths are 2.71 Å. In the second Ga site, Ga is bonded to six U, four Co, and two Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaU6Ga2Co4 cuboctahedra. The Ga–Ga bond length is 2.72 Å.