Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “C-K-Mo-N-O”

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.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K4MoC5N6O by Materials Project

K4MoC5N6O crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six N3- and two equivalent O2- atoms to form distorted KN6O2 hexagonal bipyramids that share corners with two equivalent KN5O octahedra, edges with three equivalent KN6O2 hexagonal bipyramids, and edges with two equivalent KN5O octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of K–N bond distances ranging from 2.89–3.29 Å. There are one shorter (3.09 Å) and one longer (3.12 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded to five N3- and one O2- atom to form a mixture of distorted corner and edge-sharing KN5O octahedra. There are a spread of K–N bond distances ranging from 2.75–3.14 Å. The K–O bond length is 3.06 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.88–3.21 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to six N3- and two equivalent O2- atoms. There are a spread of K–N bond distances ranging from 2.78–3.24 Å. There are one shorter (3.05 Å) and one longer (3.08 Å) K–O bond lengths. Mo6+ is bonded in a single-bond geometry to one N3- atom. The Mo–N bond length is 1.83 Å. There are five inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fourth C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fifth C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to four K1+, one Mo6+, and one O2- atom. The N–O bond length is 1.26 Å. In the second N3- site, N3- is bonded in a 1-coordinate geometry to four K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to four K1+ and one C2+ atom. In the fourth N3- site, N3- is bonded to three K1+ and one C2+ atom to form distorted corner-sharing NK3C tetrahedra. In the fifth N3- site, N3- is bonded in a distorted single-bond geometry to four K1+ and one C2+ atom. In the sixth N3- site, N3- is bonded in a 1-coordinate geometry to four K1+ and one C2+ atom. O2- is bonded in a distorted single-bond geometry to five K1+ and one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4MoC4(NO2)4 by Materials Project

(K2C2N2O3)2MoO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two molybdenum (iv)oxide molecules and one K2C2N2O3 framework. In the K2C2N2O3 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to four N+2.50- and three O2- atoms. There are a spread of K–N bond distances ranging from 2.85–3.11 Å. There are a spread of K–O bond distances ranging from 2.68–3.31 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to three N+2.50- and four O2- atoms. There are a spread of K–N bond distances ranging from 2.97–3.11 Å. There are a spread of K–O bond distances ranging from 2.69–2.96 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one N+2.50- atom. The C–N bond length is 1.18 Å. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N+2.50- atom. The C–N bond length is 1.18 Å. There are two inequivalent N+2.50- sites. In the first N+2.50- site, N+2.50- is bonded in a distorted single-bond geometry to four K1+ and one C4+ atom. In the second N+2.50- site, N+2.50- is bonded in a distorted single-bond geometry to three K1+ and one C4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one O2- atom. The O–O bond length is 1.27 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to two K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K5MoC7N7O by Materials Project

MoK5C7N7O crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one molybdenum molecule and one K5C7N7O framework. In the K5C7N7O framework, there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to one N3- and one O2- atom. The K–N bond length is 2.90 Å. The K–O bond length is 2.59 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.77–3.23 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.83–3.19 Å. The K–O bond length is 2.66 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.91–3.26 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to four N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.88–3.25 Å. The K–O bond length is 2.60 Å. There are seven inequivalent C+1.71+ sites. In the first C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fourth C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fifth C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the sixth C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the seventh C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are seven inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+1.71+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+1.71+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one C+1.71+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+1.71+ atom. In the fifth N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+1.71+ atom. In the sixth N3- site, N3- is bonded in a distorted single-bond geometry to four K1+ and one C+1.71+ atom. In the seventh N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one C+1.71+ atom. O2- is bonded in a trigonal non-coplanar geometry to three K1+ atoms.

36 MATERIALS SCIENCE↗