U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaGaGeH by Materials Project
Abstract
BaGaGeH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge and three equivalent H atoms. All Ba–Ge bond lengths are 3.45 Å. All Ba–H bond lengths are 2.60 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Ge and one H atom. All Ga–Ge bond lengths are 2.59 Å. The Ga–H bond length is 1.75 Å. Ge is bonded in a 6-coordinate geometry to three equivalent Ba and three equivalent Ga atoms. H is bonded to three equivalent Ba and one Ga atom to form corner-sharing HBa3Ga tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1018095
- 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-H; BaGaGeH; crystal structure
- OSTI Identifier:
- 1350236
- DOI:
- https://doi.org/10.17188/1350236
Citation Formats
Materials Data on BaGaGeH by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350236.
Materials Data on BaGaGeH by Materials Project. United States. doi:https://doi.org/10.17188/1350236
2020.
"Materials Data on BaGaGeH by Materials Project". United States. doi:https://doi.org/10.17188/1350236. https://www.osti.gov/servlets/purl/1350236. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1350236,
title = {Materials Data on BaGaGeH by Materials Project},
abstractNote = {BaGaGeH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge and three equivalent H atoms. All Ba–Ge bond lengths are 3.45 Å. All Ba–H bond lengths are 2.60 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Ge and one H atom. All Ga–Ge bond lengths are 2.59 Å. The Ga–H bond length is 1.75 Å. Ge is bonded in a 6-coordinate geometry to three equivalent Ba and three equivalent Ga atoms. H is bonded to three equivalent Ba and one Ga atom to form corner-sharing HBa3Ga tetrahedra.},
doi = {10.17188/1350236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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