Materials Data on Ni7Ge4 by Materials Project

Abstract

Ni7Ge4 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.53–2.62 Å. There are three shorter (2.62 Å) and three longer (2.63 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Ge atoms. There are one shorter (2.42 Å) and three longer (2.61 Å) Ni–Ni bond lengths. There are three shorter (2.59 Å) and three longer (2.60 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 5-coordinate geometry to six equivalent Ni and five Ge atoms. There are three shorter (2.29 Å) and two longer (2.57 Å) Ni–Ge bond lengths. 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 2.29–2.55 Å. There are three 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 8-coordinate geometry to eight Ni atoms. In the third Ge site, Ge is bonded in a 11-coordinate geometry to eleven Ni atoms.