Materials Data on Ni5Ge3 by Materials Project

Abstract

Ni5Ge3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.52–2.66 Å. There are a spread of Ni–Ge bond distances ranging from 2.40–2.91 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.52–2.67 Å. There are a spread of Ni–Ge bond distances ranging from 2.39–2.89 Å. In the third Ni site, Ni is bonded to six Ni and six Ge atoms to form a mixture of corner and edge-sharing NiNi6Ge6 cuboctahedra. All Ni–Ni bond lengths are 2.56 Å. There are a spread of Ni–Ge bond distances ranging from 2.46–2.79 Å. In the fourth Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.60 Å. In the fifth Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.58 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine Ni atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to nine Ni atoms.