DOE OSTI2020
CePt2Sn2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Pt and eight Sn atoms. There are a spread of Ce–Pt bond distances ranging from 3.47–3.52 Å. There are a spread of Ce–Sn bond distances ranging from 3.46–3.59 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Sn atoms. All Pt–Sn bond lengths are 2.68 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Ce and five Sn atoms. There are one shorter (2.59 Å) and four longer (2.69 Å) Pt–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Ce and five Pt atoms. In the second Sn site, Sn is bonded to four equivalent Ce and four equivalent Pt atoms to form a mixture of distorted face and edge-sharing SnCe4Pt4 tetrahedra.