Materials Data on UCu3Pd2 by Materials Project

Abstract

UPd2Cu3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Pd and ten Cu atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) U–Pd bond lengths. There are a spread of U–Cu bond distances ranging from 3.01–3.22 Å. Pd is bonded to three equivalent U, two equivalent Pd, and seven Cu atoms to form a mixture of distorted face, edge, and corner-sharing PdU3Cu7Pd2 cuboctahedra. There are one shorter (2.68 Å) and one longer (2.70 Å) Pd–Pd bond lengths. There are a spread of Pd–Cu bond distances ranging from 2.55–3.06 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent U, four equivalent Pd, and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.46–3.11 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent U, six equivalent Pd, and six equivalent Cu atoms.