Materials Data on RbVOF3 by Materials Project
RbVOF3 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to two equivalent O2- and seven F1- atoms. Both Rb–O bond lengths are 3.04 Å. There are a spread of Rb–F bond distances ranging from 2.91–3.17 Å. V4+ is bonded to one O2- and five F1- atoms to form a mixture of distorted edge and corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles are 18°. The V–O bond length is 1.64 Å. There are a spread of V–F bond distances ranging from 1.92–2.23 Å. O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one V4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent V4+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one V4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent V4+ atoms.