Materials Data on Cs2Re2Se5 by Materials Project
Abstract
Cs2Re2Se5 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.62–4.26 Å. Re4+ is bonded to five Se2- atoms to form edge-sharing ReSe5 square pyramids. There are a spread of Re–Se bond distances ranging from 2.54–2.61 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six equivalent Cs1+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Re4+ atom. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Re4+ atoms. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Re4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-651741
- 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; Cs2Re2Se5; Cs-Re-Se
- OSTI Identifier:
- 1281097
- DOI:
- https://doi.org/10.17188/1281097
Citation Formats
The Materials Project. Materials Data on Cs2Re2Se5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281097.
The Materials Project. Materials Data on Cs2Re2Se5 by Materials Project. United States. doi:https://doi.org/10.17188/1281097
The Materials Project. 2020.
"Materials Data on Cs2Re2Se5 by Materials Project". United States. doi:https://doi.org/10.17188/1281097. https://www.osti.gov/servlets/purl/1281097. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281097,
title = {Materials Data on Cs2Re2Se5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Re2Se5 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.62–4.26 Å. Re4+ is bonded to five Se2- atoms to form edge-sharing ReSe5 square pyramids. There are a spread of Re–Se bond distances ranging from 2.54–2.61 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six equivalent Cs1+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Re4+ atom. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Re4+ atoms. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Re4+ atoms.},
doi = {10.17188/1281097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}