Materials Data on KLuO2 by Materials Project
KLuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 2.79 Å. Lu3+ is bonded to six equivalent O2- atoms to form edge-sharing LuO6 octahedra. All Lu–O bond lengths are 2.26 Å. O2- is bonded to three equivalent K1+ and three equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing OK3Lu3 octahedra. The corner-sharing octahedral tilt angles are 0°.
36 MATERIALS SCIENCE↗