Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “NaCrSe2”

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 NaCrSe2 by Materials Project

NaCrSe2 crystallizes in the hexagonal P6/mmm space group. The structure is one-dimensional and consists of one NaCrSe2 ribbon oriented in the (0, 0, 1) direction. Na1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Na–Se bond lengths are 2.66 Å. Cr3+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Cr–Se bond lengths are 2.32 Å. Se2- is bonded in a linear geometry to one Na1+ and one Cr3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaCrSe2 by Materials Project

NaCrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form distorted NaSe6 octahedra that share corners with six equivalent CrSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Na–Se bond lengths are 3.00 Å. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Cr–Se bond lengths are 2.57 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Cr3+ atoms to form a mixture of corner and edge-sharing SeNa3Cr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗