Materials Data on AsAu3 by Materials Project
Au3As is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au1+ is bonded to eight equivalent Au1+ and four equivalent As3- atoms to form distorted AuAs4Au8 cuboctahedra that share corners with four equivalent AsAu12 cuboctahedra, corners with fourteen equivalent AuAs4Au8 cuboctahedra, edges with six equivalent AsAu12 cuboctahedra, edges with twelve equivalent AuAs4Au8 cuboctahedra, faces with four equivalent AsAu12 cuboctahedra, and faces with sixteen equivalent AuAs4Au8 cuboctahedra. There are four shorter (2.96 Å) and four longer (2.98 Å) Au–Au bond lengths. There are two shorter (2.96 Å) and two longer (2.98 Å) Au–As bond lengths. As3- is bonded to twelve equivalent Au1+ atoms to form AsAu12 cuboctahedra that share corners with six equivalent AsAu12 cuboctahedra, corners with twelve equivalent AuAs4Au8 cuboctahedra, edges with eighteen equivalent AuAs4Au8 cuboctahedra, faces with eight equivalent AsAu12 cuboctahedra, and faces with twelve equivalent AuAs4Au8 cuboctahedra.
- 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:
- 1316565
- Report Number(s):
- mp-984353
- Country of Publication:
- United States
- Language:
- English
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