U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsMg6Si by Materials Project
Abstract
CsMg6Si crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to six Mg and two equivalent Si atoms. There are a spread of Cs–Mg bond distances ranging from 4.07–4.10 Å. Both Cs–Si bond lengths are 4.07 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to four Mg and one Si atom. There are two shorter (3.01 Å) and two longer (3.03 Å) Mg–Mg bond lengths. The Mg–Si bond length is 2.73 Å. In the second Mg site, Mg is bonded in a distorted bent 120 degrees geometry to two equivalent Cs, two Mg, and two equivalent Si atoms. Both Mg–Mg bond lengths are 3.32 Å. There are one shorter (2.86 Å) and one longer (2.87 Å) Mg–Si bond lengths. In the third Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg atoms. Both Mg–Mg bond lengths are 3.09 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Cs and eight Mg atoms. Si is bonded in a 8-coordinate geometry to two equivalent Cs and six Mg atoms.
- Publication Date:
- Other Number(s):
- mp-1021157
- 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; crystal structure; Cs-Mg-Si; CsMg6Si
- OSTI Identifier:
- 1653772
- DOI:
- https://doi.org/10.17188/1653772
Citation Formats
Materials Data on CsMg6Si by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1653772.
Materials Data on CsMg6Si by Materials Project. United States. doi:https://doi.org/10.17188/1653772
2020.
"Materials Data on CsMg6Si by Materials Project". United States. doi:https://doi.org/10.17188/1653772. https://www.osti.gov/servlets/purl/1653772. Pub date:Mon May 04 20:00:00 EDT 2020
@article{osti_1653772,
title = {Materials Data on CsMg6Si by Materials Project},
abstractNote = {CsMg6Si crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to six Mg and two equivalent Si atoms. There are a spread of Cs–Mg bond distances ranging from 4.07–4.10 Å. Both Cs–Si bond lengths are 4.07 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to four Mg and one Si atom. There are two shorter (3.01 Å) and two longer (3.03 Å) Mg–Mg bond lengths. The Mg–Si bond length is 2.73 Å. In the second Mg site, Mg is bonded in a distorted bent 120 degrees geometry to two equivalent Cs, two Mg, and two equivalent Si atoms. Both Mg–Mg bond lengths are 3.32 Å. There are one shorter (2.86 Å) and one longer (2.87 Å) Mg–Si bond lengths. In the third Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg atoms. Both Mg–Mg bond lengths are 3.09 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Cs and eight Mg atoms. Si is bonded in a 8-coordinate geometry to two equivalent Cs and six Mg atoms.},
doi = {10.17188/1653772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}