Materials Data on W9C4 by Materials Project

Abstract

W9C4 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are three inequivalent W sites. In the first W site, W is bonded in a 3-coordinate geometry to three C atoms. There are a spread of W–C bond distances ranging from 2.10–2.12 Å. In the second W site, W is bonded in a distorted bent 120 degrees geometry to two C atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) W–C bond lengths. In the third W site, W is bonded in a 3-coordinate geometry to three C atoms. There are a spread of W–C bond distances ranging from 2.11–2.13 Å. There are four inequivalent C sites. In the first C site, C is bonded to six W atoms to form a mixture of edge and corner-sharing CW6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. In the second C site, C is bonded to six W atoms to form a mixture of edge and corner-sharing CW6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. In the third C site, C is bonded to six equivalent W atoms to form a mixture of edge and corner-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth C site, C is bonded to six equivalent W atoms to form a mixture of edge and corner-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 49°.