Materials Data on Ga2Ni5Te4 by Materials Project

Abstract

Ni5Ga2Te4 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ni5Ga2Te4 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to two Ni, three equivalent Ga, and three equivalent Te atoms. There are one shorter (2.48 Å) and one longer (2.61 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.60 Å. All Ni–Te bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to one Ni, three equivalent Ga, and three equivalent Te atoms. All Ni–Ga bond lengths are 2.50 Å. All Ni–Te bond lengths are 2.54 Å. In the third Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Ni and six equivalent Te atoms. All Ni–Te bond lengths are 2.64 Å. Ga is bonded in a 6-coordinate geometry to six Ni atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 6-coordinate geometry to six Ni atoms. In the second Te site, Te is bonded in a 3-coordinate geometry to three equivalent Ni atoms.