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DOE OSTI2020

Materials Data on CsRbO by Materials Project

CsRbO crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to four equivalent O2- atoms. There are a spread of Cs–O bond distances ranging from 2.83–3.51 Å. Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. There are one shorter (2.73 Å) and two longer (2.92 Å) Rb–O bond lengths. O2- is bonded in a 7-coordinate geometry to four equivalent Cs1+ and three equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CsRbO3 by Materials Project

CsRbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to six equivalent O atoms to form CsO6 octahedra that share corners with six equivalent CsO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–O bond lengths are 2.28 Å. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent CsO6 octahedra. All Rb–O bond lengths are 3.22 Å. O is bonded in a distorted linear geometry to two equivalent Cs and four equivalent Rb atoms.

36 MATERIALS SCIENCE↗