Materials Data on Ga3(Ni10B3)2 by Materials Project

Abstract

Ga3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Ga and two equivalent B atoms. The Ni–Ga bond length is 2.50 Å. Both Ni–B bond lengths are 2.10 Å. In the second Ni site, Ni is bonded to one Ga and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiGaB3 tetrahedra. The Ni–Ga bond length is 2.41 Å. All Ni–B bond lengths are 2.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. In the second Ga site, Ga is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.