U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaGaGe by Materials Project
Abstract
Ba(GaGe) 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 to six equivalent Ga and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing BaGa6Ge6 cuboctahedra. All Ba–Ga bond lengths are 3.75 Å. All Ba–Ge bond lengths are 3.48 Å. In the second Ba site, Ba is bonded to six equivalent Ga and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing BaGa6Ge6 cuboctahedra. All Ba–Ga bond lengths are 3.46 Å. All Ba–Ge bond lengths are 3.74 Å. Ga is bonded in a 3-coordinate geometry to six Ba and three equivalent Ge atoms. All Ga–Ge bond lengths are 2.57 Å. Ge is bonded in a 3-coordinate geometry to six Ba and three equivalent Ga atoms.
- Publication Date:
- Other Number(s):
- mp-1102026
- 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-Ge; BaGaGe; crystal structure
- OSTI Identifier:
- 1739073
- DOI:
- https://doi.org/10.17188/1739073
Citation Formats
Materials Data on BaGaGe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739073.
Materials Data on BaGaGe by Materials Project. United States. doi:https://doi.org/10.17188/1739073
2020.
"Materials Data on BaGaGe by Materials Project". United States. doi:https://doi.org/10.17188/1739073. https://www.osti.gov/servlets/purl/1739073. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1739073,
title = {Materials Data on BaGaGe by Materials Project},
abstractNote = {Ba(GaGe) 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 to six equivalent Ga and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing BaGa6Ge6 cuboctahedra. All Ba–Ga bond lengths are 3.75 Å. All Ba–Ge bond lengths are 3.48 Å. In the second Ba site, Ba is bonded to six equivalent Ga and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing BaGa6Ge6 cuboctahedra. All Ba–Ga bond lengths are 3.46 Å. All Ba–Ge bond lengths are 3.74 Å. Ga is bonded in a 3-coordinate geometry to six Ba and three equivalent Ge atoms. All Ga–Ge bond lengths are 2.57 Å. Ge is bonded in a 3-coordinate geometry to six Ba and three equivalent Ga atoms.},
doi = {10.17188/1739073},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}