Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “TaS2N”

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.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TaS2N by Materials Project

TaNS2 crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two TaNS2 sheets oriented in the (0, 0, 1) direction. Ta5+ is bonded to six S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. There are three shorter (2.49 Å) and three longer (2.50 Å) Ta–S bond lengths. N1- is bonded in a distorted single-bond geometry to one S2- atom. The N–S bond length is 2.82 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ta5+ and one N1- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaS2N by Materials Project

TaNS2 is H-Phase-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent S2- atoms to form distorted TaS6 pentagonal pyramids that share corners with nine equivalent NS6 cuboctahedra, edges with three equivalent NS6 cuboctahedra, edges with six equivalent TaS6 pentagonal pyramids, and a faceface with one NS6 cuboctahedra. All Ta–S bond lengths are 2.49 Å. N1- is bonded to six equivalent S2- atoms to form distorted NS6 cuboctahedra that share corners with nine equivalent TaS6 pentagonal pyramids, edges with six equivalent NS6 cuboctahedra, edges with three equivalent TaS6 pentagonal pyramids, and a faceface with one TaS6 pentagonal pyramid. There are three shorter (3.44 Å) and three longer (3.45 Å) N–S bond lengths. S2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and three equivalent N1- atoms.

36 MATERIALS SCIENCE↗