Materials Data on V3AsC by Materials Project

Abstract

V3AsC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+2.33+ sites. In the first V+2.33+ site, V+2.33+ is bonded in a 2-coordinate geometry to two equivalent C4- and three equivalent As3- atoms. Both V–C bond lengths are 2.06 Å. There are two shorter (2.56 Å) and one longer (2.59 Å) V–As bond lengths. In the second V+2.33+ site, V+2.33+ is bonded in a distorted bent 150 degrees geometry to two equivalent C4- and two equivalent As3- atoms. Both V–C bond lengths are 1.98 Å. Both V–As bond lengths are 2.53 Å. C4- is bonded to six V+2.33+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedral tilt angles are 27°. As3- is bonded in a 8-coordinate geometry to eight V+2.33+ atoms.