U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba5Ga6 by Materials Project
Abstract
Ba5Ga6 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Ga atoms. There are two shorter (3.45 Å) and two longer (3.49 Å) Ba–Ga bond lengths. In the second Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Ga atoms. There are two shorter (3.46 Å) and two longer (3.52 Å) Ba–Ga bond lengths. In the third Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.42 Å) and three longer (3.47 Å) Ba–Ga bond lengths. In the fourth Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.45 Å) and three longer (3.47 Å) Ba–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to four Ba and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.78 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to four Ba and four Ga atoms. Both Ga–Ga bond lengthsmore »
- Publication Date:
- Other Number(s):
- mp-1228211
- 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; Ba5Ga6; crystal structure
- OSTI Identifier:
- 1744040
- DOI:
- https://doi.org/10.17188/1744040
Citation Formats
Materials Data on Ba5Ga6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1744040.
Materials Data on Ba5Ga6 by Materials Project. United States. doi:https://doi.org/10.17188/1744040
2019.
"Materials Data on Ba5Ga6 by Materials Project". United States. doi:https://doi.org/10.17188/1744040. https://www.osti.gov/servlets/purl/1744040. Pub date:Sat Jan 12 19:00:00 EST 2019
@article{osti_1744040,
title = {Materials Data on Ba5Ga6 by Materials Project},
abstractNote = {Ba5Ga6 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Ga atoms. There are two shorter (3.45 Å) and two longer (3.49 Å) Ba–Ga bond lengths. In the second Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Ga atoms. There are two shorter (3.46 Å) and two longer (3.52 Å) Ba–Ga bond lengths. In the third Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.42 Å) and three longer (3.47 Å) Ba–Ga bond lengths. In the fourth Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.45 Å) and three longer (3.47 Å) Ba–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to four Ba and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.78 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to four Ba and four Ga atoms. Both Ga–Ga bond lengths are 2.73 Å.},
doi = {10.17188/1744040},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}