Materials Data on Cs2BaO2 by Materials Project
Cs2BaO2 is Bixbyite (Mn,Fe)2O4-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are a spread of Cs–O bond distances ranging from 2.94–3.46 Å. Ba2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.58 Å) and two longer (2.63 Å) Ba–O bond lengths. O2- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Ba2+ atoms.
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