Materials Data on RuAu3 by Materials Project
RuAu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru3+ is bonded to twelve equivalent Au1- atoms to form RuAu12 cuboctahedra that share corners with six equivalent RuAu12 cuboctahedra, corners with twelve equivalent AuRu4Au8 cuboctahedra, edges with eighteen equivalent AuRu4Au8 cuboctahedra, faces with eight equivalent RuAu12 cuboctahedra, and faces with twelve equivalent AuRu4Au8 cuboctahedra. There are six shorter (2.88 Å) and six longer (2.92 Å) Ru–Au bond lengths. Au1- is bonded to four equivalent Ru3+ and eight equivalent Au1- atoms to form distorted AuRu4Au8 cuboctahedra that share corners with four equivalent RuAu12 cuboctahedra, corners with fourteen equivalent AuRu4Au8 cuboctahedra, edges with six equivalent RuAu12 cuboctahedra, edges with twelve equivalent AuRu4Au8 cuboctahedra, faces with four equivalent RuAu12 cuboctahedra, and faces with sixteen equivalent AuRu4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.88–2.96 Å.
- 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:
- 1314464
- Report Number(s):
- mp-974365
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on AsAu3 by Materials Project
Materials Data on GeAu3 by Materials Project
Materials Data on PAu3 by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1316565
Materials Data on GeAu3 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1754503
Materials Data on PAu3 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1695217