Materials Data on Ga2Ni7Ge2 by Materials Project

Abstract

Ni7Ga2Ge2 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, three equivalent Ga, and three equivalent Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.50–2.64 Å. All Ni–Ga bond lengths are 2.62 Å. All Ni–Ge bond lengths are 2.66 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to five Ni, three equivalent Ga, and three equivalent Ge atoms. There are one shorter (2.48 Å) and three longer (2.60 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.61 Å. All Ni–Ge bond lengths are 2.58 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to six Ni, two Ga, and three equivalent Ge atoms. There are one shorter (2.45 Å) and one longer (2.55 Å) Ni–Ga bond lengths. All Ni–Ge bond lengths are 2.30 Å. In the fourth Ni site, Ni is bonded in a 5-coordinate geometry to six equivalent Ni, three equivalent Ga, and two equivalent Ge atoms. All Ni–Ga bond lengths are 2.30 Å. Both Ni–Ge bond lengths are 2.59 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to eleven Ni atoms. In the second Ga site, Ga is bonded in a 8-coordinate geometry to eight Ni atoms. Ge is bonded in a 10-coordinate geometry to ten Ni atoms.