Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cr-Cu-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.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cr2CuSe4 by Materials Project

CuCr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent CuSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.53 Å. Cu2+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–Se bond lengths are 2.39 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrCuSe2 by Materials Project

CuCrSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cr3+ is bonded to six Se2- atoms to form CrSe6 octahedra that share corners with nine equivalent CuSe4 tetrahedra, edges with six equivalent CrSe6 octahedra, and a faceface with one CuSe4 tetrahedra. There are three shorter (2.52 Å) and three longer (2.63 Å) Cr–Se bond lengths. Cu1+ is bonded to four Se2- atoms to form distorted CuSe4 tetrahedra that share corners with nine equivalent CrSe6 octahedra, corners with six equivalent CuSe4 tetrahedra, and a faceface with one CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are one shorter (2.34 Å) and three longer (2.49 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Cr3+ and one Cu1+ atom to form distorted corner-sharing SeCr3Cu trigonal pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Cr3+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrCuSe2 by Materials Project

CuCrSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cr3+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are three shorter (2.54 Å) and three longer (2.71 Å) Cr–Se bond lengths. Cu1+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 trigonal pyramids. There are one shorter (2.34 Å) and three longer (2.48 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Cr3+ and three equivalent Cu1+ atoms to form edge-sharing SeCr3Cu3 octahedra. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu1+ atom.

36 MATERIALS SCIENCE↗