Materials Data on RbVSe2 by Materials Project
RbVSe2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Rb1+ is bonded to eight equivalent Se2- atoms to form distorted RbSe8 hexagonal bipyramids that share corners with four equivalent RbSe8 hexagonal bipyramids, corners with six VSe4 tetrahedra, edges with six equivalent RbSe8 hexagonal bipyramids, edges with five VSe4 tetrahedra, and faces with two equivalent RbSe8 hexagonal bipyramids. There are a spread of Rb–Se bond distances ranging from 3.64–3.83 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with four equivalent RbSe8 hexagonal bipyramids, edges with six equivalent RbSe8 hexagonal bipyramids, and edges with two equivalent VSe4 tetrahedra. All V–Se bond lengths are 2.38 Å. In the second V3+ site, V3+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with eight equivalent RbSe8 hexagonal bipyramids, edges with four equivalent RbSe8 hexagonal bipyramids, and edges with two equivalent VSe4 tetrahedra. All V–Se bond lengths are 2.38 Å. Se2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two V3+ atoms.