Materials Data on InAu3 by Materials Project
Au3In crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. There are six shorter (2.92 Å) and six longer (3.16 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 12-coordinate geometry to three equivalent Au1- and three equivalent In3+ atoms. All Au–In bond lengths are 2.90 Å. In3+ is bonded in a 6-coordinate geometry to six equivalent 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:
- 1656348
- Report Number(s):
- mp-1223816
- Country of Publication:
- United States
- Language:
- English
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