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8 records
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 Cs3O by Materials Project

Cs3O is Bismuth triodide-like structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one Cs3O ribbon oriented in the (0, 0, 1) direction. Cs is bonded in an L-shaped geometry to two equivalent O atoms. Both Cs–O bond lengths are 2.90 Å. O is bonded to six equivalent Cs atoms to form face-sharing OCs6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2O by Materials Project

Cs2O is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Cs2O sheets oriented in the (0, 0, 1) direction. Cs1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Cs–O bond lengths are 2.89 Å. O2- is bonded to six equivalent Cs1+ atoms to form edge-sharing OCs6 octahedra.

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↗
DOE OSTI2020

Materials Data on Cs2O by Materials Project

Cs2O is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted trigonal planar geometry to three equivalent O2- atoms. There are two shorter (2.84 Å) and one longer (3.27 Å) Cs–O bond lengths. O2- is bonded to six equivalent Cs1+ atoms to form a mixture of edge and corner-sharing OCs6 octahedra. The corner-sharing octahedral tilt angles are 52°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2O2 by Materials Project

Cs2O2 is alpha boron-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs is bonded in a 6-coordinate geometry to six equivalent O atoms. There are four shorter (2.98 Å) and two longer (3.20 Å) Cs–O bond lengths. O is bonded in a 7-coordinate geometry to six equivalent Cs and one O atom. The O–O bond length is 1.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2O3 by Materials Project

Cs2O3 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, 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 CsO6 octahedra. All Cs–O bond lengths are 3.28 Å. In the second Cs site, 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 CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–O bond lengths are 2.32 Å. O is bonded in a distorted linear geometry to six Cs atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2O2 by Materials Project

Cs2O2 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded to six equivalent O atoms to form a mixture of corner and edge-sharing CsO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–O bond lengths are 3.03 Å. O is bonded to six equivalent Cs atoms to form a mixture of corner and edge-sharing OCs6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗