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9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2O by Materials Project

K2O is beta Vanadium nitride-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are one shorter (2.66 Å) and two longer (2.70 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.70 Å. O2- is bonded to six K1+ atoms to form a mixture of distorted corner and edge-sharing OK6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KO3 by Materials Project

KO3 is Baddeleyite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. K is bonded to seven O atoms to form distorted KO7 pentagonal bipyramids that share corners with eight equivalent KO7 pentagonal bipyramids, corners with two equivalent OK3O tetrahedra, and edges with two equivalent KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.81–3.06 Å. There are two inequivalent O sites. In the first O site, O is bonded to three equivalent K and one O atom to form OK3O tetrahedra that share a cornercorner with one KO7 pentagonal bipyramid, corners with twelve equivalent OK3O tetrahedra, and edges with two equivalent OK3O tetrahedra. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a trigonal planar geometry to one K and two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2O by Materials Project

K2O crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one K2O sheet oriented in the (0, 0, 1) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All K–O bond lengths are 2.71 Å. In the second K1+ site, K1+ is bonded in a 3-coordinate geometry to four equivalent O2- atoms. There are three shorter (2.67 Å) and one longer (3.21 Å) K–O bond lengths. O2- is bonded in a 7-coordinate geometry to seven K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2O by Materials Project

K2O is Hydrophilite-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. K1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. There are two shorter (2.68 Å) and one longer (2.71 Å) K–O bond lengths. O2- is bonded to six equivalent K1+ atoms to form a mixture of edge and corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles are 53°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KO2 by Materials Project

KO2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. K is bonded to six equivalent O atoms to form KO6 octahedra that share corners with twelve equivalent KO6 octahedra and corners with six equivalent OK3O tetrahedra. The corner-sharing octahedral tilt angles are 75°. All K–O bond lengths are 2.77 Å. O is bonded to three equivalent K and one O atom to form OK3O tetrahedra that share corners with three equivalent KO6 octahedra and corners with fifteen equivalent OK3O tetrahedra. The corner-sharing octahedral tilt angles are 66°. The O–O bond length is 1.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2O2 by Materials Project

K2O2 is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.65 Å) and two longer (2.77 Å) K–O bond lengths. In the second K site, K is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.74 Å) and four longer (2.89 Å) K–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 7-coordinate geometry to six K and one O atom. The O–O bond length is 1.53 Å. In the second O site, O is bonded to six K and one O atom to form a mixture of distorted face, edge, and corner-sharing OK6O pentagonal bipyramids. The O–O bond length is 1.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2O by Materials Project

K2O crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.06 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form a mixture of distorted corner and edge-sharing KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.63–2.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to six K1+ atoms. In the second O2- site, O2- is bonded in a 9-coordinate geometry to nine K1+ atoms. In the third O2- site, O2- is bonded in a 9-coordinate geometry to nine K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KO2 by Materials Project

KO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.69–2.91 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent K and one O atom. The O–O bond length is 1.36 Å. In the second O site, O is bonded to five equivalent K and one O atom to form a mixture of distorted corner and edge-sharing OK5O octahedra. The corner-sharing octahedra tilt angles range from 18–83°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KO2 by Materials Project

KO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.68–2.99 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to four equivalent K and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded to five equivalent K and one O atom to form a mixture of distorted edge and corner-sharing OK5O octahedra. The corner-sharing octahedra tilt angles range from 22–85°.

36 MATERIALS SCIENCE↗