Materials Data on GaNi4Ge3 by Materials Project

Abstract

Ni4GaGe3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to one Ga and six equivalent Ge atoms. The Ni–Ga bond length is 2.45 Å. There are three shorter (2.44 Å) and three longer (2.62 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ga and five equivalent Ge atoms. There are one shorter (2.47 Å) and one longer (2.61 Å) Ni–Ga bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.40–2.63 Å. Ga is bonded in a 7-coordinate geometry to seven Ni and six equivalent Ge atoms. All Ga–Ge bond lengths are 2.89 Å. Ge is bonded in a 9-coordinate geometry to seven Ni and two equivalent Ga atoms.