Materials Data on Ba3Al3Ga2 by Materials Project
Ba3Ga2Al3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Ga and six equivalent Al atoms. There are three shorter (3.47 Å) and one longer (3.50 Å) Ba–Ga bond lengths. All Ba–Al bond lengths are 3.53 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to six equivalent Ga atoms. All Ba–Ga bond lengths are 3.85 Å. Ga is bonded in a 10-coordinate geometry to seven Ba and three equivalent Al atoms. All Ga–Al bond lengths are 2.72 Å. Al is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Ga, and two equivalent Al atoms. Both Al–Al bond lengths are 2.84 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1274988
- Report Number(s):
- mp-569218
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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