SEARCH · Engineering Papers

Results for “N-V-Zn”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

3 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on V(ZnN)2 by Materials Project

V(ZnN)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of V–N bond distances ranging from 1.79–1.99 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to five N3- atoms to form distorted ZnN5 square pyramids that share corners with two equivalent ZnN5 square pyramids, corners with two equivalent ZnN4 trigonal pyramids, edges with three equivalent ZnN5 square pyramids, and edges with four equivalent ZnN4 trigonal pyramids. There are a spread of Zn–N bond distances ranging from 2.08–2.57 Å. In the second Zn2+ site, Zn2+ is bonded to four N3- atoms to form ZnN4 trigonal pyramids that share corners with two equivalent ZnN5 square pyramids, corners with two equivalent ZnN4 trigonal pyramids, edges with four equivalent ZnN5 square pyramids, and an edgeedge with one ZnN4 trigonal pyramid. There are a spread of Zn–N bond distances ranging from 2.12–2.31 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to one V2+ and five Zn2+ atoms to form a mixture of distorted corner and edge-sharing NVZn5 octahedra. The corner-sharing octahedra tilt angles range from 13–18°. In the second N3- site, N3- is bonded to two equivalent V2+ and four Zn2+ atoms to form a mixture of distorted corner and edge-sharing NV2Zn4 octahedra. The corner-sharing octahedra tilt angles range from 15–21°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on VZn2N3 by Materials Project

VZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. V5+ is bonded to four N3- atoms to form VN4 tetrahedra that share corners with two equivalent VN4 tetrahedra and corners with ten equivalent ZnN4 tetrahedra. There is two shorter (1.79 Å) and two longer (1.88 Å) V–N bond length. Zn2+ is bonded to four N3- atoms to form ZnN4 tetrahedra that share corners with five equivalent VN4 tetrahedra and corners with seven equivalent ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.03–2.09 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent V5+ and two equivalent Zn2+ atoms to form corner-sharing NV2Zn2 tetrahedra. In the second N3- site, N3- is bonded to one V5+ and three equivalent Zn2+ atoms to form corner-sharing NVZn3 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V3Zn2N by Materials Project

V3Zn2N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. V is bonded in a bent 150 degrees geometry to six equivalent Zn and two equivalent N atoms. There are a spread of V–Zn bond distances ranging from 2.71–2.83 Å. Both V–N bond lengths are 2.04 Å. Zn is bonded to nine equivalent V and three equivalent Zn atoms to form ZnV9Zn3 cuboctahedra that share corners with fifteen equivalent ZnV9Zn3 cuboctahedra, edges with three equivalent NV6 octahedra, faces with ten equivalent ZnV9Zn3 cuboctahedra, and faces with four equivalent NV6 octahedra. All Zn–Zn bond lengths are 2.43 Å. N is bonded to six equivalent V atoms to form distorted NV6 octahedra that share corners with six equivalent NV6 octahedra, edges with six equivalent ZnV9Zn3 cuboctahedra, and faces with eight equivalent ZnV9Zn3 cuboctahedra. The corner-sharing octahedral tilt angles are 19°.

36 MATERIALS SCIENCE↗