U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaGe3 by Materials Project
Abstract
BaGe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to twelve Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.51–3.70 Å. In the second Ba site, Ba is bonded in a 12-coordinate geometry to twelve Ge atoms. There are four shorter (3.47 Å) and eight longer (3.51 Å) Ba–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Ba and five Ge atoms. There are one shorter (2.54 Å) and four longer (2.83 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Ba and five Ge atoms. There are one shorter (2.53 Å) and two longer (2.88 Å) Ge–Ge bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105500
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; BaGe3; Ba-Ge
- OSTI Identifier:
- 1751500
- DOI:
- https://doi.org/10.17188/1751500
Citation Formats
The Materials Project. Materials Data on BaGe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751500.
The Materials Project. Materials Data on BaGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1751500
The Materials Project. 2020.
"Materials Data on BaGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1751500. https://www.osti.gov/servlets/purl/1751500. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751500,
title = {Materials Data on BaGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaGe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to twelve Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.51–3.70 Å. In the second Ba site, Ba is bonded in a 12-coordinate geometry to twelve Ge atoms. There are four shorter (3.47 Å) and eight longer (3.51 Å) Ba–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Ba and five Ge atoms. There are one shorter (2.54 Å) and four longer (2.83 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Ba and five Ge atoms. There are one shorter (2.53 Å) and two longer (2.88 Å) Ge–Ge bond lengths.},
doi = {10.17188/1751500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}