Materials Data on Sr3LiIrO6 by Materials Project
Sr3LiIrO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.28 Å. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.80 Å. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.00 Å. O2- is bonded to one Li1+, four equivalent Sr2+, and one Ir5+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4LiIr octahedra. The corner-sharing octahedra tilt angles range from 0–63°.
36 MATERIALS SCIENCE↗