Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “H-K-O-S”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K3H(SO4)2 by Materials Project

K3H(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to two equivalent H1+ and ten O2- atoms. Both K–H bond lengths are 2.88 Å. There are a spread of K–O bond distances ranging from 2.75–3.14 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.88–3.42 Å. H1+ is bonded in a linear geometry to two equivalent K1+ and two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three K1+, one H1+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one S6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KH3SO6 by Materials Project

KH3SO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.78–3.24 Å. There are three inequivalent H sites. In the first H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.68 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.67 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent K, one H, and one O atom. The O–O bond length is 1.47 Å. In the second O site, O is bonded in a distorted single-bond geometry to one K, one S, and one O atom. In the third O site, O is bonded in a single-bond geometry to one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three equivalent K and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three equivalent K and one S atom. In the sixth O site, O is bonded in a water-like geometry to one K and three H atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K5H3S5O14 by Materials Project

K5H3S5O14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form KO6 octahedra that share corners with four equivalent SHO3 tetrahedra. There are two shorter (2.71 Å) and four longer (2.75 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.82 Å) and four longer (3.05 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.32 Å. In the fourth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.11 Å. In the fifth K1+ site, K1+ is bonded to seven O2- atoms to form distorted KO7 pentagonal bipyramids that share corners with three SHO3 tetrahedra and an edgeedge with one SHO3 tetrahedra. There are a spread of K–O bond distances ranging from 2.74–2.85 Å. In the sixth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.01 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one S4+ atom. The H–S bond length is 1.37 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one S4+ atom. The H–S bond length is 1.36 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one S4+ atom. The H–S bond length is 1.36 Å. There are five inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a water-like geometry to two equivalent O2- atoms. Both S–O bond lengths are 1.51 Å. In the second S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. In the third S4+ site, S4+ is bonded to one H1+ and three O2- atoms to form SHO3 tetrahedra that share corners with two equivalent KO7 pentagonal bipyramids. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. In the fourth S4+ site, S4+ is bonded to one H1+ and three O2- atoms to form SHO3 tetrahedra that share an edgeedge with one KO7 pentagonal bipyramid. There is one shorter (1.47 Å) and two longer (1.48 Å) S–O bond length. In the fifth S4+ site, S4+ is bonded to one H1+ and three O2- atoms to form SHO3 tetrahedra that share corners with two equivalent KO6 octahedra and a cornercorner with one KO7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 56°. All S–O bond lengths are 1.47 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KHSO4 by Materials Project

KHSO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.12 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.23 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 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. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a water-like geometry to two O2- atoms. Both S–O bond lengths are 1.48 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.64 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one O2- atom. The O–O bond length is 1.41 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one K1+, one H1+, and one O2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two K1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one H1+, and one S6+ atom.

36 MATERIALS SCIENCE↗