Materials Data on Ba3(AlSi)2 by Materials Project
Ba3(AlSi)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to eight equivalent Al and four equivalent Si atoms to form a mixture of face and edge-sharing BaAl8Si4 cuboctahedra. All Ba–Al bond lengths are 3.60 Å. All Ba–Si bond lengths are 3.71 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Si atoms. Both Ba–Al bond lengths are 3.52 Å. There are four shorter (3.51 Å) and one longer (3.66 Å) Ba–Si bond lengths. Al is bonded in a 2-coordinate geometry to six Ba, one Al, and two equivalent Si atoms. The Al–Al bond length is 2.61 Å. Both Al–Si bond lengths are 2.56 Å. Si is bonded in a 2-coordinate geometry to seven Ba and two equivalent Al 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:
- 1313348
- Report Number(s):
- mp-9578
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ba3(AlPt)4 by Materials Project
Materials Data on Ba3(AlSn)2 by Materials Project
Materials Data on Ba3(AlGe)2 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1727766
Materials Data on Ba3(AlSn)2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1287874
Materials Data on Ba3(AlGe)2 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1187274