Materials Data on ZnNiSb by Materials Project
NiZnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent ZnSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, and faces with four equivalent ZnSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.57 Å. Zn2+ is bonded to six equivalent Sb3- atoms to form ZnSb6 octahedra that share corners with six equivalent ZnSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, edges with twelve equivalent ZnSb6 octahedra, and faces with four equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–Sb bond lengths are 2.97 Å. Sb3- is bonded in a 10-coordinate geometry to four equivalent Ni1+ and six equivalent Zn2+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1188110
- Report Number(s):
- mp-11621
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on MgNiSb by Materials Project
Materials Data on VNiSb by Materials Project