Materials Data on ReSbO6 by Materials Project

Abstract

ReSbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Re7+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ReO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 28–32°. There is four shorter (1.87 Å) and two longer (1.90 Å) Re–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 31–38°. There are a spread of Sb–O bond distances ranging from 1.95–2.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms.