U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsMg6Co by Materials Project
Abstract
CsMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to two equivalent Cs and twelve Mg atoms. Both Cs–Cs bond lengths are 3.23 Å. There are a spread of Cs–Mg bond distances ranging from 3.58–4.30 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Cs and one Co atom. The Mg–Co bond length is 2.54 Å. In the second Mg site, Mg is bonded to four equivalent Cs and eight Mg atoms to form a mixture of distorted edge, face, and corner-sharing MgCs4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.56 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to one Cs, two equivalent Mg, and two equivalent Co atoms. Both Mg–Co bond lengths are 2.69 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Cs, two equivalent Mg, and two equivalent Co atoms. Both Mg–Co bond lengths are 2.76 Å. Co is bonded in a 8-coordinate geometry to eight Mg atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1022135
- 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; CsMg6Co; Co-Cs-Mg
- OSTI Identifier:
- 1675392
- DOI:
- https://doi.org/10.17188/1675392
Citation Formats
The Materials Project. Materials Data on CsMg6Co by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1675392.
The Materials Project. Materials Data on CsMg6Co by Materials Project. United States. doi:https://doi.org/10.17188/1675392
The Materials Project. 2017.
"Materials Data on CsMg6Co by Materials Project". United States. doi:https://doi.org/10.17188/1675392. https://www.osti.gov/servlets/purl/1675392. Pub date:Sat Apr 15 00:00:00 EDT 2017
@article{osti_1675392,
title = {Materials Data on CsMg6Co by Materials Project},
author = {The Materials Project},
abstractNote = {CsMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to two equivalent Cs and twelve Mg atoms. Both Cs–Cs bond lengths are 3.23 Å. There are a spread of Cs–Mg bond distances ranging from 3.58–4.30 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Cs and one Co atom. The Mg–Co bond length is 2.54 Å. In the second Mg site, Mg is bonded to four equivalent Cs and eight Mg atoms to form a mixture of distorted edge, face, and corner-sharing MgCs4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.56 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to one Cs, two equivalent Mg, and two equivalent Co atoms. Both Mg–Co bond lengths are 2.69 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Cs, two equivalent Mg, and two equivalent Co atoms. Both Mg–Co bond lengths are 2.76 Å. Co is bonded in a 8-coordinate geometry to eight Mg atoms.},
doi = {10.17188/1675392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}