Materials Data on V5As3C by Materials Project
V5CAs3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent V+2.60+ sites. In the first V+2.60+ site, V+2.60+ is bonded to six equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing VAs6 octahedra. The corner-sharing octahedral tilt angles are 32°. All V–As bond lengths are 2.54 Å. In the second V+2.60+ site, V+2.60+ is bonded in a 7-coordinate geometry to two equivalent C4- and five equivalent As3- atoms. Both V–C bond lengths are 2.06 Å. There are a spread of V–As bond distances ranging from 2.49–2.92 Å. C4- is bonded to six equivalent V+2.60+ atoms to form face-sharing CV6 octahedra. As3- is bonded in a 9-coordinate geometry to nine V+2.60+ atoms.
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