U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsAlBr4 by Materials Project
Abstract
CsAlBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.85–4.28 Å. Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Al–Br bond distances ranging from 2.31–2.34 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Al3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Cs1+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Al3+ atom.
- Publication Date:
- Other Number(s):
- mp-29103
- 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; Al-Br-Cs; CsAlBr4; crystal structure
- OSTI Identifier:
- 1203173
- DOI:
- https://doi.org/10.17188/1203173
Citation Formats
Materials Data on CsAlBr4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203173.
Materials Data on CsAlBr4 by Materials Project. United States. doi:https://doi.org/10.17188/1203173
2020.
"Materials Data on CsAlBr4 by Materials Project". United States. doi:https://doi.org/10.17188/1203173. https://www.osti.gov/servlets/purl/1203173. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1203173,
title = {Materials Data on CsAlBr4 by Materials Project},
abstractNote = {CsAlBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.85–4.28 Å. Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Al–Br bond distances ranging from 2.31–2.34 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Al3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Cs1+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Al3+ atom.},
doi = {10.17188/1203173},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}