U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba4Ge23 by Materials Project
Abstract
Ba4Ge23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.56 Å) and twelve longer (3.67 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.76 Å) and four longer (3.94 Å) Ba–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. There are one shorter (2.53 Å) and three longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Ba and four Ge atoms. There are one shorter (2.60 Å) and one longer (2.65 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing GeBa4Ge4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1214616
- 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; Ba4Ge23; crystal structure
- OSTI Identifier:
- 1652778
- DOI:
- https://doi.org/10.17188/1652778
Citation Formats
Materials Data on Ba4Ge23 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652778.
Materials Data on Ba4Ge23 by Materials Project. United States. doi:https://doi.org/10.17188/1652778
2020.
"Materials Data on Ba4Ge23 by Materials Project". United States. doi:https://doi.org/10.17188/1652778. https://www.osti.gov/servlets/purl/1652778. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1652778,
title = {Materials Data on Ba4Ge23 by Materials Project},
abstractNote = {Ba4Ge23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.56 Å) and twelve longer (3.67 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.76 Å) and four longer (3.94 Å) Ba–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. There are one shorter (2.53 Å) and three longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Ba and four Ge atoms. There are one shorter (2.60 Å) and one longer (2.65 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing GeBa4Ge4 tetrahedra.},
doi = {10.17188/1652778},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}