Materials Data on Li(ReO3)4 by Materials Project

Abstract

Li(ReO3)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li1+ is bonded in a distorted square co-planar geometry to eight O2- atoms. There are four shorter (2.23 Å) and four longer (2.69 Å) Li–O bond lengths. Re+5.75+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 21–25°. There are a spread of Re–O bond distances ranging from 1.90–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+ and two equivalent Re+5.75+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and two equivalent Re+5.75+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re+5.75+ atoms.