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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CsO2 by Materials Project

CsO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded in a distorted q4 geometry to ten equivalent O atoms. There are two shorter (3.01 Å) and eight longer (3.23 Å) Cs–O bond lengths. O is bonded to five equivalent Cs and one O atom to form a mixture of distorted edge, corner, and face-sharing OCs5O octahedra. The corner-sharing octahedra tilt angles range from 0–78°. The O–O bond length is 1.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsO2 by Materials Project

CsO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cs is bonded to six equivalent O atoms to form CsO6 octahedra that share corners with eight equivalent CsO6 octahedra, corners with six equivalent OCs3O tetrahedra, and edges with two equivalent CsO6 octahedra. The corner-sharing octahedral tilt angles are 77°. There are two shorter (3.08 Å) and four longer (3.10 Å) Cs–O bond lengths. O is bonded to three equivalent Cs and one O atom to form OCs3O tetrahedra that share corners with three equivalent CsO6 octahedra, corners with thirteen equivalent OCs3O tetrahedra, and an edgeedge with one OCs3O tetrahedra. The corner-sharing octahedral tilt angles are 65°. The O–O bond length is 1.36 Å.

36 MATERIALS SCIENCE↗