U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2MnBr4 by Materials Project
Abstract
Cs2MnBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.76–4.20 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.68–4.16 Å. Mn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Mn–Br bond distances ranging from 2.48–2.50 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four Cs1+ and one Mn2+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to five Cs1+ and one Mn2+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to four Cs1+ and one Mn2+ atom.
- Publication Date:
- Other Number(s):
- mp-600186
- 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-Mn; Cs2MnBr4; crystal structure
- OSTI Identifier:
- 1184639
- DOI:
- https://doi.org/10.17188/1184639
Citation Formats
Materials Data on Cs2MnBr4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1184639.
Materials Data on Cs2MnBr4 by Materials Project. United States. doi:https://doi.org/10.17188/1184639
2020.
"Materials Data on Cs2MnBr4 by Materials Project". United States. doi:https://doi.org/10.17188/1184639. https://www.osti.gov/servlets/purl/1184639. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1184639,
title = {Materials Data on Cs2MnBr4 by Materials Project},
abstractNote = {Cs2MnBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.76–4.20 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.68–4.16 Å. Mn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Mn–Br bond distances ranging from 2.48–2.50 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four Cs1+ and one Mn2+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to five Cs1+ and one Mn2+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to four Cs1+ and one Mn2+ atom.},
doi = {10.17188/1184639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}