Materials Data on CeIn7Pt2 by Materials Project

Abstract

CePt2In7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve In atoms to form CeIn12 cuboctahedra that share corners with four equivalent CeIn12 cuboctahedra, faces with four equivalent CeIn12 cuboctahedra, and faces with four equivalent InCe4In8 cuboctahedra. There are eight shorter (3.27 Å) and four longer (3.30 Å) Ce–In bond lengths. Pt is bonded in a body-centered cubic geometry to eight In atoms. There are four shorter (2.77 Å) and four longer (2.85 Å) Pt–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded to four equivalent Ce and eight equivalent In atoms to form distorted InCe4In8 cuboctahedra that share corners with four equivalent InCe4In8 cuboctahedra, faces with four equivalent CeIn12 cuboctahedra, and faces with four equivalent InCe4In8 cuboctahedra. All In–In bond lengths are 3.27 Å. In the second In site, In is bonded to four equivalent Pt atoms to form a mixture of corner and edge-sharing InPt4 tetrahedra. In the third In site, In is bonded in a 4-coordinate geometry to two equivalent Ce, two equivalent Pt, and two equivalent In atoms.