Materials Data on KLi6IrO6 by Materials Project

KLi6IrO6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to twelve equivalent Li1+ and twelve equivalent O2- atoms. All K–Li bond lengths are 2.99 Å. There are six shorter (2.99 Å) and six longer (3.10 Å) K–O bond lengths. Li1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+ and four equivalent O2- atoms. There is two shorter (1.95 Å) and two longer (1.98 Å) Li–O bond length. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.03 Å. O2- is bonded in a 5-coordinate geometry to two equivalent K1+, four equivalent Li1+, and one Ir5+ atom.