Materials Data on NiBTe by Materials Project
NiBTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ni4+ is bonded in a body-centered cubic geometry to four equivalent B3- and four equivalent Te1- atoms. All Ni–B bond lengths are 2.47 Å. All Ni–Te bond lengths are 2.47 Å. B3- is bonded to four equivalent Ni4+ atoms to form distorted BNi4 tetrahedra that share corners with four equivalent TeNi4 tetrahedra, corners with twelve equivalent BNi4 tetrahedra, and edges with six equivalent TeNi4 tetrahedra. Te1- is bonded to four equivalent Ni4+ atoms to form distorted TeNi4 tetrahedra that share corners with four equivalent BNi4 tetrahedra, corners with twelve equivalent TeNi4 tetrahedra, and edges with six equivalent BNi4 tetrahedra.
- 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:
- 1279229
- Report Number(s):
- mp-631540
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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