Materials Data on MgNi2 by Materials Project

Abstract

MgNi2 is Cubic Laves structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Mg–Ni bond distances ranging from 2.81–2.83 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Mg and six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing NiMg6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.41 Å. In the second Ni site, Ni is bonded to six equivalent Mg and six Ni atoms to form a mixture of corner, edge, and face-sharing NiMg6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.41 Å.