U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba3Ge5 by Materials Project
Abstract
Ba3Ge5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.39–3.70 Å. In the second Ba site, Ba is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.61 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ba and three Ge atoms. There are one shorter (2.64 Å) and two longer (2.65 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Ba and four Ge atoms. Both Ge–Ge bond lengths are 2.74 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ba and three Ge atoms.
- Publication Date:
- Other Number(s):
- mp-1188954
- 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; Ba3Ge5; crystal structure
- OSTI Identifier:
- 1731789
- DOI:
- https://doi.org/10.17188/1731789
Citation Formats
Materials Data on Ba3Ge5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1731789.
Materials Data on Ba3Ge5 by Materials Project. United States. doi:https://doi.org/10.17188/1731789
2020.
"Materials Data on Ba3Ge5 by Materials Project". United States. doi:https://doi.org/10.17188/1731789. https://www.osti.gov/servlets/purl/1731789. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1731789,
title = {Materials Data on Ba3Ge5 by Materials Project},
abstractNote = {Ba3Ge5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.39–3.70 Å. In the second Ba site, Ba is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.61 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ba and three Ge atoms. There are one shorter (2.64 Å) and two longer (2.65 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Ba and four Ge atoms. Both Ge–Ge bond lengths are 2.74 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ba and three Ge atoms.},
doi = {10.17188/1731789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}