Materials Data on BaSi6 by Materials Project
Abstract
BaSi6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to eighteen Si atoms. There are a spread of Ba–Si bond distances ranging from 3.22–3.66 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Ba and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.42–2.48 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to three equivalent Ba and four Si atoms. There are one shorter (2.41 Å) and one longer (2.46 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to three equivalent Ba and four Si atoms. Both Si–Si bond lengths are 2.41 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1480
- 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; BaSi6; Ba-Si
- OSTI Identifier:
- 1190902
- DOI:
- https://doi.org/10.17188/1190902
Citation Formats
The Materials Project. Materials Data on BaSi6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190902.
The Materials Project. Materials Data on BaSi6 by Materials Project. United States. doi:https://doi.org/10.17188/1190902
The Materials Project. 2020.
"Materials Data on BaSi6 by Materials Project". United States. doi:https://doi.org/10.17188/1190902. https://www.osti.gov/servlets/purl/1190902. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1190902,
title = {Materials Data on BaSi6 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSi6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to eighteen Si atoms. There are a spread of Ba–Si bond distances ranging from 3.22–3.66 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Ba and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.42–2.48 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to three equivalent Ba and four Si atoms. There are one shorter (2.41 Å) and one longer (2.46 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to three equivalent Ba and four Si atoms. Both Si–Si bond lengths are 2.41 Å.},
doi = {10.17188/1190902},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}