Materials Data on Ni4W by Materials Project
Ni4W crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. W is bonded to twelve Ni atoms to form WNi12 cuboctahedra that share corners with twelve NiNi9W3 cuboctahedra, edges with eight equivalent WNi12 cuboctahedra, edges with sixteen NiNi9W3 cuboctahedra, faces with two equivalent WNi12 cuboctahedra, and faces with sixteen NiNi9W3 cuboctahedra. There are eight shorter (2.54 Å) and four longer (2.57 Å) W–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent W and nine Ni atoms to form distorted NiNi9W3 cuboctahedra that share corners with three equivalent WNi12 cuboctahedra, corners with nine NiNi9W3 cuboctahedra, edges with four equivalent WNi12 cuboctahedra, edges with twenty NiNi9W3 cuboctahedra, faces with four equivalent WNi12 cuboctahedra, and faces with fourteen NiNi9W3 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.53–2.57 Å. In the second Ni site, Ni is bonded to three equivalent W and nine Ni atoms to form distorted NiNi9W3 cuboctahedra that share corners with three equivalent WNi12 cuboctahedra, corners with nine equivalent NiNi9W3 cuboctahedra, edges with four equivalent WNi12 cuboctahedra, edges with twenty NiNi9W3 cuboctahedra, faces with four equivalent WNi12 cuboctahedra, and faces with fourteen NiNi9W3 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. In the third Ni site, Ni is bonded to three equivalent W and nine Ni atoms to form distorted NiNi9W3 cuboctahedra that share corners with three equivalent WNi12 cuboctahedra, corners with nine NiNi9W3 cuboctahedra, edges with four equivalent WNi12 cuboctahedra, edges with twenty NiNi9W3 cuboctahedra, faces with four equivalent WNi12 cuboctahedra, and faces with fourteen NiNi9W3 cuboctahedra.