Materials Data on CsLi2Br3 by Materials Project
Abstract
CsLi2Br3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.69–3.79 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five Br1- atoms to form a mixture of corner and edge-sharing LiBr5 trigonal bipyramids. There are a spread of Li–Br bond distances ranging from 2.60–2.90 Å. In the second Li1+ site, Li1+ is bonded to five Br1- atoms to form a mixture of corner and edge-sharing LiBr5 trigonal bipyramids. There are a spread of Li–Br bond distances ranging from 2.59–2.90 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and four Li1+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and four Li1+ atoms. In the third Br1- site, Br1- is bonded to four equivalent Cs1+ and two Li1+ atoms to form a mixture of distorted corner and edge-sharing BrCs4Li2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-606680
- 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; CsLi2Br3; Br-Cs-Li
- OSTI Identifier:
- 1277519
- DOI:
- https://doi.org/10.17188/1277519
Citation Formats
The Materials Project. Materials Data on CsLi2Br3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277519.
The Materials Project. Materials Data on CsLi2Br3 by Materials Project. United States. doi:https://doi.org/10.17188/1277519
The Materials Project. 2020.
"Materials Data on CsLi2Br3 by Materials Project". United States. doi:https://doi.org/10.17188/1277519. https://www.osti.gov/servlets/purl/1277519. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1277519,
title = {Materials Data on CsLi2Br3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsLi2Br3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.69–3.79 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five Br1- atoms to form a mixture of corner and edge-sharing LiBr5 trigonal bipyramids. There are a spread of Li–Br bond distances ranging from 2.60–2.90 Å. In the second Li1+ site, Li1+ is bonded to five Br1- atoms to form a mixture of corner and edge-sharing LiBr5 trigonal bipyramids. There are a spread of Li–Br bond distances ranging from 2.59–2.90 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and four Li1+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and four Li1+ atoms. In the third Br1- site, Br1- is bonded to four equivalent Cs1+ and two Li1+ atoms to form a mixture of distorted corner and edge-sharing BrCs4Li2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1277519},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}