Materials Data on Y3P by Materials Project

Abstract

PY3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to eight Y and four equivalent P atoms to form distorted YY8P4 cuboctahedra that share corners with twelve equivalent YY8P4 cuboctahedra, edges with eight equivalent YY8P4 cuboctahedra, edges with eight equivalent PY12 cuboctahedra, faces with four equivalent PY12 cuboctahedra, and faces with ten equivalent YY8P4 cuboctahedra. There are four shorter (3.13 Å) and four longer (3.39 Å) Y–Y bond lengths. All Y–P bond lengths are 3.39 Å. In the second Y site, Y is bonded in a square co-planar geometry to eight equivalent Y and four equivalent P atoms. All Y–P bond lengths are 3.13 Å. P is bonded to twelve Y atoms to form PY12 cuboctahedra that share corners with four equivalent PY12 cuboctahedra, edges with eight equivalent PY12 cuboctahedra, edges with sixteen equivalent YY8P4 cuboctahedra, faces with four equivalent PY12 cuboctahedra, and faces with eight equivalent YY8P4 cuboctahedra.