U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba4Ga22Sn by Materials Project
Abstract
Ba4Ga22Sn crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to thirteen Ga and one Sn atom. There are a spread of Ba–Ga bond distances ranging from 3.29–3.72 Å. The Ba–Sn bond length is 3.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to four equivalent Ba, three equivalent Ga, and one Sn atom. All Ga–Ga bond lengths are 2.57 Å. The Ga–Sn bond length is 2.69 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Ga atoms. All Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Ba and four Ga atoms. The Ga–Ga bond length is 2.57 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Ga atoms.
- Publication Date:
- Other Number(s):
- mp-1214544
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ba-Ga-Sn; Ba4Ga22Sn; crystal structure
- OSTI Identifier:
- 1729332
- DOI:
- https://doi.org/10.17188/1729332
Citation Formats
Materials Data on Ba4Ga22Sn by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1729332.
Materials Data on Ba4Ga22Sn by Materials Project. United States. doi:https://doi.org/10.17188/1729332
2020.
"Materials Data on Ba4Ga22Sn by Materials Project". United States. doi:https://doi.org/10.17188/1729332. https://www.osti.gov/servlets/purl/1729332. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1729332,
title = {Materials Data on Ba4Ga22Sn by Materials Project},
abstractNote = {Ba4Ga22Sn crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to thirteen Ga and one Sn atom. There are a spread of Ba–Ga bond distances ranging from 3.29–3.72 Å. The Ba–Sn bond length is 3.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to four equivalent Ba, three equivalent Ga, and one Sn atom. All Ga–Ga bond lengths are 2.57 Å. The Ga–Sn bond length is 2.69 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Ga atoms. All Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Ba and four Ga atoms. The Ga–Ga bond length is 2.57 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Ga atoms.},
doi = {10.17188/1729332},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}