Materials Data on CeGaPt4 by Materials Project

CePt4Ga crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fifteen Pt and three equivalent Ga atoms. There are three shorter (3.18 Å) and twelve longer (3.49 Å) Ce–Pt bond lengths. All Ce–Ga bond lengths are 3.18 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to three equivalent Ce, six equivalent Pt, and three equivalent Ga atoms to form distorted PtCe3Ga3Pt6 cuboctahedra that share corners with nine equivalent GaCe3Pt9 cuboctahedra, corners with twelve equivalent PtCe4Ga2Pt6 cuboctahedra, edges with six equivalent PtCe3Ga3Pt6 cuboctahedra, faces with three equivalent GaCe3Pt9 cuboctahedra, and faces with twenty PtCe3Ga3Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.67 Å. All Pt–Ga bond lengths are 3.18 Å. In the second Pt site, Pt is bonded to four equivalent Ce, six Pt, and two equivalent Ga atoms to form distorted PtCe4Ga2Pt6 cuboctahedra that share corners with four equivalent GaCe3Pt9 cuboctahedra, corners with twenty PtCe3Ga3Pt6 cuboctahedra, edges with ten equivalent PtCe4Ga2Pt6 cuboctahedra, faces with six equivalent GaCe3Pt9 cuboctahedra, and faces with sixteen PtCe3Ga3Pt6 cuboctahedra. There are two shorter (2.74 Å) and two longer (2.77 Å) Pt–Pt bond lengths. Both Pt–Ga bond lengths are 2.66 Å. Ga is bonded to three equivalent Ce and nine Pt atoms to form distorted GaCe3Pt9 cuboctahedra that share corners with twenty-one PtCe3Ga3Pt6 cuboctahedra, edges with six equivalent GaCe3Pt9 cuboctahedra, faces with two equivalent GaCe3Pt9 cuboctahedra, and faces with twenty-one PtCe3Ga3Pt6 cuboctahedra.