Materials Data on Ce(ZnAu2)2 by Materials Project

Ce(Au2Zn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Au atoms to form a mixture of distorted edge and face-sharing CeAu12 cuboctahedra. There are four shorter (3.02 Å) and eight longer (3.35 Å) Ce–Au bond lengths. There are five inequivalent Au sites. In the first Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. There are two shorter (2.80 Å) and two longer (2.89 Å) Au–Au bond lengths. All Au–Zn bond lengths are 2.89 Å. In the second Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. There are two shorter (2.80 Å) and two longer (2.89 Å) Au–Au bond lengths. All Au–Zn bond lengths are 2.89 Å. In the third Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. Both Au–Au bond lengths are 2.89 Å. All Au–Zn bond lengths are 2.89 Å. In the fourth Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. Both Au–Au bond lengths are 2.80 Å. All Au–Zn bond lengths are 2.89 Å. In the fifth Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. The Au–Au bond length is 2.80 Å. All Au–Zn bond lengths are 2.89 Å. Zn is bonded in a 10-coordinate geometry to eight Au and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.70 Å.