U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaGe6 by Materials Project
Abstract
BaGe6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to eighteen Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.38–3.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.55–2.64 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are one shorter (2.58 Å) and two longer (2.60 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. The Ge–Ge bond length is 2.57 Å.
- Publication Date:
- Other Number(s):
- mp-1103747
- 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; BaGe6; crystal structure
- OSTI Identifier:
- 1748602
- DOI:
- https://doi.org/10.17188/1748602
Citation Formats
Materials Data on BaGe6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748602.
Materials Data on BaGe6 by Materials Project. United States. doi:https://doi.org/10.17188/1748602
2020.
"Materials Data on BaGe6 by Materials Project". United States. doi:https://doi.org/10.17188/1748602. https://www.osti.gov/servlets/purl/1748602. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1748602,
title = {Materials Data on BaGe6 by Materials Project},
abstractNote = {BaGe6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to eighteen Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.38–3.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.55–2.64 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are one shorter (2.58 Å) and two longer (2.60 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. The Ge–Ge bond length is 2.57 Å.},
doi = {10.17188/1748602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}