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Results for “H-K-O”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KH9O5 by Materials Project

(K(H2O)3)2(H2O)2H2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules; four water molecules; and one K(H2O)3 sheet oriented in the (1, 0, 0) direction. In the K(H2O)3 sheet, K1+ is bonded in a 3-coordinate geometry to two H1+ and six O2- atoms. There are one shorter (2.79 Å) and one longer (2.81 Å) K–H bond lengths. There are a spread of K–O bond distances ranging from 2.73–3.03 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent K1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent K1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent K1+ and two H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KH3O2 by Materials Project

KH3O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 2-coordinate geometry to six H1+ and six O2- atoms. There are a spread of K–H bond distances ranging from 2.80–2.94 Å. There are a spread of K–O bond distances ranging from 2.83–2.91 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two equivalent K1+ and two O2- atoms. There is one shorter (1.03 Å) and one longer (1.58 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two equivalent K1+ and two O2- atoms. There is one shorter (1.03 Å) and one longer (1.58 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to four equivalent K1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and three H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KHO by Materials Project

KHO crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 2-coordinate geometry to three equivalent H1+ and five equivalent O2- atoms. There are a spread of K–H bond distances ranging from 2.63–2.82 Å. There are a spread of K–O bond distances ranging from 2.71–2.97 Å. H1+ is bonded in a single-bond geometry to three equivalent K1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a single-bond geometry to five equivalent K1+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KHO by Materials Project

KHO crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to four equivalent H1+ and five equivalent O2- atoms. There are two shorter (2.71 Å) and two longer (2.87 Å) K–H bond lengths. There are a spread of K–O bond distances ranging from 2.69–2.88 Å. H1+ is bonded in a single-bond geometry to four equivalent K1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a single-bond geometry to five equivalent K1+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KHO by Materials Project

KHO crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to four equivalent H1+ and five equivalent O2- atoms. There are a spread of K–H bond distances ranging from 2.69–3.04 Å. There are a spread of K–O bond distances ranging from 2.67–2.94 Å. H1+ is bonded in a single-bond geometry to four equivalent K1+ and one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to five equivalent K1+ and one H1+ atom.

36 MATERIALS SCIENCE↗