Materials Data on ReO3 by Materials Project

Abstract

ReO3 is High-temperature superconductor-like structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. All Re–O bond lengths are 1.90 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Re6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Re6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Re6+ atoms.