Materials Data on Ce4Ni3Pt by Materials Project

Abstract

Ce4PtNi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to one Pt and six Ni atoms. The Ce–Pt bond length is 3.06 Å. There are two shorter (2.87 Å) and four longer (2.88 Å) Ce–Ni bond lengths. In the second Ce site, Ce is bonded in a 7-coordinate geometry to two equivalent Pt and five Ni atoms. Both Ce–Pt bond lengths are 3.09 Å. There are four shorter (2.89 Å) and one longer (2.94 Å) Ce–Ni bond lengths. In the third Ce site, Ce is bonded in a 7-coordinate geometry to four equivalent Pt and three Ni atoms. All Ce–Pt bond lengths are 2.89 Å. There are one shorter (3.01 Å) and two longer (3.07 Å) Ce–Ni bond lengths. In the fourth Ce site, Ce is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.88–2.96 Å. Pt is bonded in a 9-coordinate geometry to seven Ce and two equivalent Ni atoms. Both Pt–Ni bond lengths are 2.87 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to seven Ce and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.73 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Ce and two equivalent Ni atoms. In the third Ni site, Ni is bonded in a 9-coordinate geometry to seven Ce and two equivalent Pt atoms.