Materials Data on Rb2TiOF5 by Materials Project
Rb2TiOF5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 5-coordinate geometry to one O and four F atoms. The Rb–O bond length is 2.93 Å. There are two shorter (2.88 Å) and two longer (3.01 Å) Rb–F bond lengths. Ti is bonded to six F atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Ti–F bond distances ranging from 1.86–2.02 Å. O is bonded in an L-shaped geometry to two equivalent Rb atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to two equivalent Rb and one Ti atom. In the second F site, F is bonded in a distorted single-bond geometry to two equivalent Rb and one Ti atom. In the third F site, F is bonded in a linear geometry to two equivalent Ti atoms.