Materials Data on Ni4GePt5 by Materials Project

Abstract

Pt5Ni4Ge crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Ni2+ and four equivalent Ge2+ atoms to form a mixture of distorted face, edge, and corner-sharing PtNi4Ge4 cuboctahedra. All Pt–Ni bond lengths are 2.68 Å. All Pt–Ge bond lengths are 2.67 Å. In the second Pt2- site, Pt2- is bonded in a distorted body-centered cubic geometry to eight Ni2+ atoms. There are four shorter (2.63 Å) and four longer (2.65 Å) Pt–Ni bond lengths. In the third Pt2- site, Pt2- is bonded to eight equivalent Ni2+ atoms to form a mixture of distorted face and edge-sharing PtNi8 cuboctahedra. All Pt–Ni bond lengths are 2.66 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. In the second Ni2+ site, Ni2+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. Ge2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.