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Materials Data on CsLaO3 by Materials Project

CsLaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent O atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent LaO6 octahedra. All Cs–O bond lengths are 3.37 Å. La is bonded to six equivalent O atoms to form LaO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–O bond lengths are 2.38 Å. O is bonded in a distorted linear geometry to four equivalent Cs and two equivalent La atoms.

36 MATERIALS SCIENCE↗

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↗