Materials Data on Mn3Ga4Ni9 by Materials Project

Abstract

Mn3Ni9Ga4 is Tungsten-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and two equivalent Ga atoms. All Mn–Ni bond lengths are 2.50 Å. Both Mn–Ga bond lengths are 2.88 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to three equivalent Mn, one Ni, and four Ga atoms. The Ni–Ni bond length is 2.48 Å. There are three shorter (2.49 Å) and one longer (2.51 Å) Ni–Ga bond lengths. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.88 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Ni atoms. In the second Ga site, Ga is bonded in a distorted body-centered cubic geometry to ten Ni atoms.