Materials Data on Ni2W4C by Materials Project

Abstract

Ni2W4C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a 2-coordinate geometry to four equivalent Ni and two equivalent C atoms. There are two shorter (2.68 Å) and two longer (2.88 Å) W–Ni bond lengths. Both W–C bond lengths are 2.14 Å. In the second W site, W is bonded in a 6-coordinate geometry to six equivalent Ni atoms. All W–Ni bond lengths are 2.45 Å. Ni is bonded in a 12-coordinate geometry to nine W and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.67 Å. C is bonded to six equivalent W atoms to form corner-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 41°.