Materials Data on CeYPd6 by Materials Project

Abstract

CeYPd6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form CePd12 cuboctahedra that share corners with four equivalent CePd12 cuboctahedra, corners with eight equivalent YPd12 cuboctahedra, faces with two equivalent YPd12 cuboctahedra, and faces with four equivalent CePd12 cuboctahedra. There are eight shorter (2.91 Å) and four longer (2.94 Å) Ce–Pd bond lengths. Y is bonded to twelve Pd atoms to form YPd12 cuboctahedra that share corners with four equivalent YPd12 cuboctahedra, corners with eight equivalent CePd12 cuboctahedra, faces with two equivalent CePd12 cuboctahedra, and faces with four equivalent YPd12 cuboctahedra. There are four shorter (2.94 Å) and eight longer (2.95 Å) Y–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Y atoms. In the third Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ce and two equivalent Y atoms.