U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaCaGe by Materials Project
Abstract
BaCaGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.75 Å. Ca is bonded to four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CaGe4 tetrahedra. There are a spread of Ca–Ge bond distances ranging from 3.13–3.18 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.
- Publication Date:
- Other Number(s):
- mp-16252
- 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-Ca-Ge; BaCaGe; crystal structure
- OSTI Identifier:
- 1191699
- DOI:
- https://doi.org/10.17188/1191699
Citation Formats
Materials Data on BaCaGe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191699.
Materials Data on BaCaGe by Materials Project. United States. doi:https://doi.org/10.17188/1191699
2020.
"Materials Data on BaCaGe by Materials Project". United States. doi:https://doi.org/10.17188/1191699. https://www.osti.gov/servlets/purl/1191699. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1191699,
title = {Materials Data on BaCaGe by Materials Project},
abstractNote = {BaCaGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.75 Å. Ca is bonded to four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CaGe4 tetrahedra. There are a spread of Ca–Ge bond distances ranging from 3.13–3.18 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.},
doi = {10.17188/1191699},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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