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Title: 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}
}