Materials Data on BaGeAu3 by Materials Project
BaAu3Ge crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve Au and five equivalent Ge atoms. There are a spread of Ba–Au bond distances ranging from 3.49–3.62 Å. There are one shorter (3.69 Å) and four longer (3.74 Å) Ba–Ge bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 2-coordinate geometry to four equivalent Ba and two equivalent Ge atoms. Both Au–Ge bond lengths are 2.62 Å. In the second Au site, Au is bonded in a distorted single-bond geometry to four equivalent Ba and one Ge atom. The Au–Ge bond length is 2.59 Å. Ge is bonded in a 5-coordinate geometry to five equivalent Ba and five Au 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:
- 1729613
- Report Number(s):
- mp-1227958
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on BaGe3Ir by Materials Project
Materials Data on BaGe3Rh by Materials Project
Materials Data on Ba4Ge20Au3 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1666479
Materials Data on BaGe3Rh by Materials Project
Dataset
·
Sun Apr 26 00:00:00 EDT 2020
·
OSTI ID:1741912
Materials Data on Ba4Ge20Au3 by Materials Project
Dataset
·
Wed Apr 29 00:00:00 EDT 2020
·
OSTI ID:1197189