Materials Data on Mg2Ni by Materials Project

Abstract

Mg2Ni is Fluorite structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ni atoms to form a mixture of edge and corner-sharing MgNi4 tetrahedra. There are a spread of Mg–Ni bond distances ranging from 2.64–2.67 Å. In the second Mg site, Mg is bonded to four Ni atoms to form a mixture of edge and corner-sharing MgNi4 tetrahedra. There are two shorter (2.65 Å) and two longer (2.67 Å) Mg–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Mg atoms. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Mg atoms.