Materials Data on Ce15Ni32 by Materials Project

Abstract

Ce15Ni32 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.86–3.06 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.93–2.98 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Ce–Ni bond lengths are 2.97 Å. In the fourth Ce site, Ce is bonded in a 6-coordinate geometry to twelve Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.76–3.38 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to six Ce and six Ni atoms to form a mixture of edge, face, and corner-sharing NiCe6Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.52–2.55 Å. In the second Ni site, Ni is bonded to six Ce and six Ni atoms to form a mixture of distorted face and corner-sharing NiCe6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. In the third Ni site, Ni is bonded to six Ce and six Ni atoms to form a mixture of edge, face, and corner-sharing NiCe6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.51 Å. In the fourth Ni site, Ni is bonded in a 11-coordinate geometry to five Ce and six Ni atoms. There are two shorter (2.52 Å) and one longer (2.57 Å) Ni–Ni bond lengths.