Materials Data on ZrBTe by Materials Project
ZrBTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr4+ is bonded in a body-centered cubic geometry to four equivalent B3- and four equivalent Te1- atoms. All Zr–B bond lengths are 2.81 Å. All Zr–Te bond lengths are 2.81 Å. B3- is bonded to four equivalent Zr4+ atoms to form BZr4 tetrahedra that share corners with four equivalent TeZr4 tetrahedra, corners with twelve equivalent BZr4 tetrahedra, and edges with six equivalent TeZr4 tetrahedra. Te1- is bonded to four equivalent Zr4+ atoms to form TeZr4 tetrahedra that share corners with four equivalent BZr4 tetrahedra, corners with twelve equivalent TeZr4 tetrahedra, and edges with six equivalent BZr4 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:
- 1279207
- Report Number(s):
- mp-631518
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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