Materials Data on CuTcBi by Materials Project
TcCuBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc3- is bonded in a body-centered cubic geometry to four equivalent Cu1+ and four equivalent Bi2+ atoms. All Tc–Cu bond lengths are 2.70 Å. All Tc–Bi bond lengths are 2.70 Å. Cu1+ is bonded to four equivalent Tc3- atoms to form CuTc4 tetrahedra that share corners with four equivalent BiTc4 tetrahedra, corners with twelve equivalent CuTc4 tetrahedra, and edges with six equivalent BiTc4 tetrahedra. Bi2+ is bonded to four equivalent Tc3- atoms to form BiTc4 tetrahedra that share corners with four equivalent CuTc4 tetrahedra, corners with twelve equivalent BiTc4 tetrahedra, and edges with six equivalent CuTc4 tetrahedra.
- 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:
- 1279161
- Report Number(s):
- mp-631463
- Country of Publication:
- United States
- Language:
- English
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