Materials Data on CeSbPt5 by Materials Project

Abstract

CePt5Sb crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to twelve Pt+1.20- atoms to form CePt12 cuboctahedra that share corners with six equivalent CePt12 cuboctahedra, edges with six equivalent CePt12 cuboctahedra, and edges with six equivalent SbPt4 tetrahedra. There are six shorter (3.18 Å) and six longer (3.33 Å) Ce–Pt bond lengths. In the second Ce3+ site, Ce3+ is bonded to twelve Pt+1.20- atoms to form distorted CePt12 cuboctahedra that share corners with six equivalent CePt12 cuboctahedra, edges with six equivalent CePt12 cuboctahedra, and faces with two equivalent SbPt4 tetrahedra. There are six shorter (3.12 Å) and six longer (3.35 Å) Ce–Pt bond lengths. There are three inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a 1-coordinate geometry to two Ce3+ and one Sb3+ atom. The Pt–Sb bond length is 2.64 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to three equivalent Ce3+ and one Sb3+ atom. The Pt–Sb bond length is 2.54 Å. In the third Pt+1.20- site, Pt+1.20- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms. Sb3+ is bonded to four Pt+1.20- atoms to form distorted SbPt4 tetrahedra that share edges with three equivalent CePt12 cuboctahedra and a faceface with one CePt12 cuboctahedra.