U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba2Ge by Materials Project
Abstract
Ba2Ge is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing BaGe4 tetrahedra. There are a spread of Ba–Ge bond distances ranging from 3.36–3.44 Å. In the second Ba site, Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge atoms. There are one shorter (3.40 Å) and two longer (3.64 Å) Ba–Ge bond lengths. Ge is bonded in a 7-coordinate geometry to seven Ba atoms.
- Publication Date:
- Other Number(s):
- mp-13922
- 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-Ge; Ba2Ge; crystal structure
- OSTI Identifier:
- 1189814
- DOI:
- https://doi.org/10.17188/1189814
Citation Formats
Materials Data on Ba2Ge by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189814.
Materials Data on Ba2Ge by Materials Project. United States. doi:https://doi.org/10.17188/1189814
2020.
"Materials Data on Ba2Ge by Materials Project". United States. doi:https://doi.org/10.17188/1189814. https://www.osti.gov/servlets/purl/1189814. Pub date:Fri Jul 17 04:00:00 UTC 2020
@article{osti_1189814,
title = {Materials Data on Ba2Ge by Materials Project},
abstractNote = {Ba2Ge is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing BaGe4 tetrahedra. There are a spread of Ba–Ge bond distances ranging from 3.36–3.44 Å. In the second Ba site, Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge atoms. There are one shorter (3.40 Å) and two longer (3.64 Å) Ba–Ge bond lengths. Ge is bonded in a 7-coordinate geometry to seven Ba atoms.},
doi = {10.17188/1189814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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