Materials Data on CsLaO2 by Materials Project
CsLaO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.17 Å. La3+ is bonded to six equivalent O2- atoms to form edge-sharing LaO6 octahedra. All La–O bond lengths are 2.49 Å. O2- is bonded to three equivalent Cs1+ and three equivalent La3+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs3La3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.
36 MATERIALS SCIENCE↗