Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “K-O-Se”

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.

9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2SeO4 by Materials Project

K2SeO4 crystallizes in the orthorhombic Pnma 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 2.75–3.00 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.17 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2SeO4 by Materials Project

K2SeO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.13 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.28 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.12 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.19 Å. In the fifth K1+ site, K1+ is bonded in a 1-coordinate geometry to one O2- atom. The K–O bond length is 2.66 Å. In the sixth 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 2.67–2.99 Å. There are three inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.67 Å) and three longer (1.68 Å) Se–O bond length. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. In the third Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.67 Å) and three longer (1.68 Å) Se–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Se6+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Se6+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Se6+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Se6+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Se6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K6Se2O9 by Materials Project

K6Se2O9 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.11 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.34 Å. In the third 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 2.73–3.15 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There is three shorter (1.76 Å) and two longer (1.84 Å) Se–O bond length. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. All Se–O bond lengths are 1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Se2O7 by Materials Project

K2Se2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.25 Å. Se6+ is bonded to four O2- atoms to form corner-sharing SeO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.64–1.84 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Se6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Se4O by Materials Project

K2Se4O crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two K2Se4O sheets oriented in the (0, 0, 1) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted single-bond geometry to two equivalent Se and one O2- atom. There are one shorter (3.29 Å) and one longer (3.34 Å) K–Se bond lengths. The K–O bond length is 2.73 Å. In the second K1+ site, K1+ is bonded in a distorted single-bond geometry to two equivalent Se and one O2- atom. There are one shorter (3.30 Å) and one longer (3.31 Å) K–Se bond lengths. The K–O bond length is 2.60 Å. There are four inequivalent Se sites. In the first Se site, Se is bonded in a water-like geometry to two Se atoms. There are one shorter (2.39 Å) and one longer (2.45 Å) Se–Se bond lengths. In the second Se site, Se is bonded in a water-like geometry to two Se atoms. The Se–Se bond length is 2.39 Å. In the third Se site, Se is bonded in a 5-coordinate geometry to four K1+ and one Se atom. In the fourth Se site, Se is bonded in a single-bond geometry to one Se and one O2- atom. The Se–O bond length is 1.75 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Se2O by Materials Project

K2Se2O crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two K2Se2O ribbons oriented in the (0, 0, 1) direction. K is bonded in a 2-coordinate geometry to two equivalent O atoms. There are one shorter (2.71 Å) and one longer (2.82 Å) K–O bond lengths. Se is bonded in a distorted single-bond geometry to one O atom. The Se–O bond length is 2.08 Å. O is bonded to four equivalent K and two equivalent Se atoms to form distorted edge-sharing OK4Se2 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3(SeO4)2 by Materials Project

K3(SeO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.77–3.26 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.81–3.35 Å. Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.72 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four K and one Se atom. In the second O site, O is bonded in a 1-coordinate geometry to four K and one Se atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one Se atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four K and one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3(SeO4)2 by Materials Project

K3(SeO4)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one K3(SeO4)2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent K sites. In the first K site, K is bonded in a distorted single-bond geometry to one O atom. The K–O bond length is 2.58 Å. In the second K site, K is bonded to six equivalent O atoms to form KO6 octahedra that share corners with six equivalent SeO4 tetrahedra. All K–O bond lengths are 2.64 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent KO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There is one shorter (1.66 Å) and three longer (1.68 Å) Se–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K and one Se atom. In the second O site, O is bonded in a linear geometry to one K and one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSeO4 by Materials Project

KSeO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.29 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.18 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.65–1.72 Å. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two K and one Se atom. In the second O site, O is bonded in a 1-coordinate geometry to three K and one Se atom. In the third O site, O is bonded in a distorted single-bond geometry to two K and one Se atom. In the fourth O site, O is bonded in a 1-coordinate geometry to two K and one Se atom. In the fifth O site, O is bonded in a 1-coordinate geometry to three K and one Se atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two K and one Se atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to two K and one Se atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two K and one Se atom.

36 MATERIALS SCIENCE↗