Materials Data on CaBiAu by Materials Project
CaAuBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded to four equivalent Au and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing CaBi6Au4 tetrahedra. All Ca–Au bond lengths are 3.02 Å. All Ca–Bi bond lengths are 3.49 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Bi atoms. All Au–Bi bond lengths are 3.02 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Au 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:
- 1274419
- Report Number(s):
- mp-568398
- Country of Publication:
- United States
- Language:
- English
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