Materials Data on CuAu by Materials Project
AuCu crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 12-coordinate geometry to four Au1- and eight Cu1+ atoms. There are two shorter (2.82 Å) and two longer (2.84 Å) Au–Au bond lengths. There are a spread of Au–Cu bond distances ranging from 2.70–2.86 Å. In the second Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to two equivalent Au1- and eight Cu1+ atoms. There are a spread of Au–Cu bond distances ranging from 2.72–2.80 Å. In the third Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to eight Cu1+ atoms. There are a spread of Au–Cu bond distances ranging from 2.72–2.74 Å. In the fourth Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to eight Cu1+ atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Au–Cu bond lengths. In the fifth Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to eight Cu1+ atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Au–Cu bond lengths. There are five inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 8-coordinate geometry to eight Au1- atoms. In the second Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms. In the third Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms. In the fourth Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms. In the fifth Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- 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:
- 1276996
- Report Number(s):
- mp-582681
- Country of Publication:
- United States
- Language:
- English
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