Materials Data on CaAsAu by Materials Project
CaAuAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Au1+ and six equivalent As3- atoms to form a mixture of edge and face-sharing CaAs6Au6 cuboctahedra. All Ca–Au bond lengths are 3.27 Å. All Ca–As bond lengths are 3.27 Å. Au1+ is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent As3- atoms. All Au–As bond lengths are 2.57 Å. As3- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Au1+ atoms.
- 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:
- 1207638
- Report Number(s):
- mp-3927
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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