Materials Data on Pm3Pd by Materials Project

Abstract

Pm3Pd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Pd atoms to form distorted PmPm8Pd4 cuboctahedra that share corners with twelve equivalent PmPm8Pd4 cuboctahedra, edges with eight equivalent PmPm8Pd4 cuboctahedra, edges with eight equivalent PdPm12 cuboctahedra, faces with four equivalent PdPm12 cuboctahedra, and faces with ten equivalent PmPm8Pd4 cuboctahedra. There are four shorter (3.20 Å) and four longer (3.52 Å) Pm–Pm bond lengths. All Pm–Pd bond lengths are 3.52 Å. In the second Pm site, Pm is bonded in a square co-planar geometry to eight equivalent Pm and four equivalent Pd atoms. All Pm–Pd bond lengths are 3.20 Å. Pd is bonded to twelve Pm atoms to form PdPm12 cuboctahedra that share corners with four equivalent PdPm12 cuboctahedra, edges with eight equivalent PdPm12 cuboctahedra, edges with sixteen equivalent PmPm8Pd4 cuboctahedra, faces with four equivalent PdPm12 cuboctahedra, and faces with eight equivalent PmPm8Pd4 cuboctahedra.