Materials Data on Yb5Pt9 by Materials Project

Abstract

Yb5Pt9 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Yb+2.80+ sites. In the first Yb+2.80+ site, Yb+2.80+ is bonded in a 9-coordinate geometry to nine Pt+1.56- atoms. There are a spread of Yb–Pt bond distances ranging from 2.87–3.06 Å. In the second Yb+2.80+ site, Yb+2.80+ is bonded in a distorted q6 geometry to ten Pt+1.56- atoms. There are a spread of Yb–Pt bond distances ranging from 2.74–2.97 Å. There are three inequivalent Pt+1.56- sites. In the first Pt+1.56- site, Pt+1.56- is bonded to five Yb+2.80+ atoms to form distorted PtYb5 cuboctahedra that share corners with ten equivalent PtYb5 cuboctahedra, a cornercorner with one PtYb6 octahedra, an edgeedge with one PtYb5 cuboctahedra, an edgeedge with one PtYb6 octahedra, a faceface with one PtYb5 cuboctahedra, and a faceface with one PtYb6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second Pt+1.56- site, Pt+1.56- is bonded in a 5-coordinate geometry to five Yb+2.80+ atoms. In the third Pt+1.56- site, Pt+1.56- is bonded to six Yb+2.80+ atoms to form distorted PtYb6 octahedra that share corners with four equivalent PtYb5 cuboctahedra, corners with two equivalent PtYb6 octahedra, edges with four equivalent PtYb5 cuboctahedra, and faces with four equivalent PtYb5 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.