Materials Data on TiNiSb by Materials Project
NiTiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti2+ is bonded in a 6-coordinate geometry to six equivalent Sb3- atoms. All Ti–Sb bond lengths are 2.97 Å. Ni1+ is bonded to four equivalent Sb3- atoms to form distorted corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.57 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Ti2+ and four equivalent Ni1+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1196143
- Report Number(s):
- mp-20952
- Country of Publication:
- United States
- Language:
- English
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