Materials Data on Ni2W3N by Materials Project

Abstract

W3Ni2N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. W is bonded in a distorted bent 150 degrees geometry to six equivalent Ni and two equivalent N atoms. There are a spread of W–Ni bond distances ranging from 2.75–2.83 Å. Both W–N bond lengths are 2.10 Å. Ni is bonded to nine equivalent W and three equivalent Ni atoms to form NiNi3W9 cuboctahedra that share corners with fifteen equivalent NiNi3W9 cuboctahedra, edges with three equivalent NW6 octahedra, faces with ten equivalent NiNi3W9 cuboctahedra, and faces with four equivalent NW6 octahedra. All Ni–Ni bond lengths are 2.49 Å. N is bonded to six equivalent W atoms to form distorted NW6 octahedra that share corners with six equivalent NW6 octahedra, edges with six equivalent NiNi3W9 cuboctahedra, and faces with eight equivalent NiNi3W9 cuboctahedra. The corner-sharing octahedral tilt angles are 26°.