Materials Data on Ga3SiNi4 by Materials Project

Abstract

Ni4Ga3Si 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 six equivalent Ga and one Si atom. There are three shorter (2.44 Å) and three longer (2.56 Å) Ni–Ga bond lengths. The Ni–Si bond length is 2.30 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to five equivalent Ga and two equivalent Si atoms. There are a spread of Ni–Ga bond distances ranging from 2.42–2.54 Å. There are one shorter (2.37 Å) and one longer (2.56 Å) Ni–Si bond lengths. Ga is bonded in a 7-coordinate geometry to seven Ni and two equivalent Si atoms. Both Ga–Si bond lengths are 2.87 Å. Si is bonded in a 7-coordinate geometry to seven Ni and six equivalent Ga atoms.