Materials Data on VW2C3 by Materials Project
VW2C3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. V4+ is bonded to six C4- atoms to form VC6 octahedra that share corners with two equivalent VC6 octahedra, corners with four equivalent WC6 octahedra, edges with two equivalent VC6 octahedra, and edges with ten equivalent WC6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are four shorter (2.12 Å) and two longer (2.16 Å) V–C bond lengths. W4+ is bonded to six C4- atoms to form WC6 octahedra that share corners with two equivalent VC6 octahedra, corners with four equivalent WC6 octahedra, edges with five equivalent VC6 octahedra, and edges with seven equivalent WC6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of W–C bond distances ranging from 2.15–2.20 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to two equivalent V4+ and four equivalent W4+ atoms to form a mixture of corner and edge-sharing CV2W4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second C4- site, C4- is bonded to two equivalent V4+ and four equivalent W4+ atoms to form a mixture of corner and edge-sharing CV2W4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.