U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2MoBr6 by Materials Project
Abstract
Cs2MoBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent MoBr6 octahedra. All Cs–Br bond lengths are 3.92 Å. Mo4+ is bonded to six equivalent Br1- atoms to form MoBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Mo–Br bond lengths are 2.57 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Mo4+ atom.
- Publication Date:
- Other Number(s):
- mp-1207229
- 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; Br-Cs-Mo; Cs2MoBr6; crystal structure
- OSTI Identifier:
- 1705609
- DOI:
- https://doi.org/10.17188/1705609
Citation Formats
Materials Data on Cs2MoBr6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705609.
Materials Data on Cs2MoBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1705609
2020.
"Materials Data on Cs2MoBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1705609. https://www.osti.gov/servlets/purl/1705609. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1705609,
title = {Materials Data on Cs2MoBr6 by Materials Project},
abstractNote = {Cs2MoBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent MoBr6 octahedra. All Cs–Br bond lengths are 3.92 Å. Mo4+ is bonded to six equivalent Br1- atoms to form MoBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Mo–Br bond lengths are 2.57 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Mo4+ atom.},
doi = {10.17188/1705609},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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