Materials Data on CdPt3 by Materials Project

Abstract

Pt3Cd crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to nine Pt+0.67- and three equivalent Cd2+ atoms to form a mixture of distorted corner, edge, and face-sharing PtCd3Pt9 cuboctahedra. There are three shorter (2.82 Å) and six longer (2.89 Å) Pt–Pt bond lengths. All Pt–Cd bond lengths are 2.86 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to twelve Pt+0.67- atoms to form PtPt12 cuboctahedra that share corners with six equivalent PtPt12 cuboctahedra, edges with eighteen PtCd3Pt9 cuboctahedra, and faces with eighteen PtCd3Pt9 cuboctahedra. All Pt–Pt bond lengths are 2.89 Å. In the third Pt+0.67- site, Pt+0.67- is bonded to nine Pt+0.67- and three equivalent Cd2+ atoms to form a mixture of distorted corner, edge, and face-sharing PtCd3Pt9 cuboctahedra. There are three shorter (2.82 Å) and six longer (2.89 Å) Pt–Pt bond lengths. All Pt–Cd bond lengths are 2.86 Å. In the fourth Pt+0.67- site, Pt+0.67- is bonded to sixteen Pt+0.67- atoms to form a mixture of corner, edge, and face-sharing PtPt16 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.82–5.78 Å. In the fifth Pt+0.67- site, Pt+0.67- is bonded to nine Pt+0.67- and three equivalent Cd2+ atoms to form a mixture of distorted corner, edge, and face-sharing PtCd3Pt9 cuboctahedra. All Pt–Pt bond lengths are 2.89 Å. All Pt–Cd bond lengths are 2.86 Å. In the sixth Pt+0.67- site, Pt+0.67- is bonded to twelve Pt+0.67- atoms to form PtPt12 cuboctahedra that share corners with eleven PtPt12 cuboctahedra, edges with sixteen PtCd3Pt9 cuboctahedra, and faces with twenty-one PtCd3Pt9 cuboctahedra. There are six shorter (2.82 Å) and six longer (2.89 Å) Pt–Pt bond lengths. In the seventh Pt+0.67- site, Pt+0.67- is bonded to thirteen Pt+0.67- and three equivalent Cd2+ atoms to form distorted PtCd3Pt13 cuboctahedra that share corners with seventeen PtCd3Pt9 cuboctahedra, edges with twenty PtCd3Pt9 cuboctahedra, and faces with twenty-five PtPt12 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.89–5.78 Å. All Pt–Cd bond lengths are 2.86 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt+0.67- atoms. In the second Cd2+ site, Cd2+ is bonded in a distorted hexagonal planar geometry to six Pt+0.67- atoms.