U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2MoCl6 by Materials Project
Abstract
Cs2MoCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent MoCl6 octahedra. All Cs–Cl bond lengths are 3.76 Å. Mo4+ is bonded to six equivalent Cl1- atoms to form MoCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Mo–Cl bond lengths are 2.40 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Mo4+ atom.
- Publication Date:
- Other Number(s):
- mp-570990
- 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; Cl-Cs-Mo; Cs2MoCl6; crystal structure
- OSTI Identifier:
- 1276039
- DOI:
- https://doi.org/10.17188/1276039
Citation Formats
Materials Data on Cs2MoCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276039.
Materials Data on Cs2MoCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1276039
2020.
"Materials Data on Cs2MoCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1276039. https://www.osti.gov/servlets/purl/1276039. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276039,
title = {Materials Data on Cs2MoCl6 by Materials Project},
abstractNote = {Cs2MoCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent MoCl6 octahedra. All Cs–Cl bond lengths are 3.76 Å. Mo4+ is bonded to six equivalent Cl1- atoms to form MoCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Mo–Cl bond lengths are 2.40 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Mo4+ atom.},
doi = {10.17188/1276039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.