Materials Data on BaC10 by Materials Project
Abstract
BaC10 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to twenty-two C+0.20- atoms. There are a spread of Ba–C bond distances ranging from 3.14–3.44 Å. There are three inequivalent C+0.20- sites. In the first C+0.20- site, C+0.20- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and three C+0.20- atoms. There is one shorter (1.44 Å) and two longer (1.45 Å) C–C bond length. In the second C+0.20- site, C+0.20- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and three C+0.20- atoms. The C–C bond length is 1.44 Å. In the third C+0.20- site, C+0.20- is bonded in a 3-coordinate geometry to three equivalent Ba2+ and three C+0.20- atoms. The C–C bond length is 1.45 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-18027
- 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; BaC10; Ba-C
- OSTI Identifier:
- 1192841
- DOI:
- https://doi.org/10.17188/1192841
Citation Formats
The Materials Project. Materials Data on BaC10 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1192841.
The Materials Project. Materials Data on BaC10 by Materials Project. United States. doi:https://doi.org/10.17188/1192841
The Materials Project. 2017.
"Materials Data on BaC10 by Materials Project". United States. doi:https://doi.org/10.17188/1192841. https://www.osti.gov/servlets/purl/1192841. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1192841,
title = {Materials Data on BaC10 by Materials Project},
author = {The Materials Project},
abstractNote = {BaC10 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to twenty-two C+0.20- atoms. There are a spread of Ba–C bond distances ranging from 3.14–3.44 Å. There are three inequivalent C+0.20- sites. In the first C+0.20- site, C+0.20- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and three C+0.20- atoms. There is one shorter (1.44 Å) and two longer (1.45 Å) C–C bond length. In the second C+0.20- site, C+0.20- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and three C+0.20- atoms. The C–C bond length is 1.44 Å. In the third C+0.20- site, C+0.20- is bonded in a 3-coordinate geometry to three equivalent Ba2+ and three C+0.20- atoms. The C–C bond length is 1.45 Å.},
doi = {10.17188/1192841},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}