U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs3CdI5 by Materials Project
Abstract
Cs3CdI5 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 9-coordinate geometry to nine I1- atoms. There are a spread of Cs–I bond distances ranging from 3.91–4.47 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.82–4.15 Å. Cd2+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Cd–I bond distances ranging from 2.81–2.85 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to five Cs1+ and one Cd2+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to five Cs1+ and one Cd2+ atom. In the third I1- site, I1- is bonded to six Cs1+ atoms to form distorted face-sharing ICs6 octahedra. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to five Cs1+ and one Cd2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-669317
- 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; Cs3CdI5; Cd-Cs-I
- OSTI Identifier:
- 1281569
- DOI:
- https://doi.org/10.17188/1281569
Citation Formats
The Materials Project. Materials Data on Cs3CdI5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281569.
The Materials Project. Materials Data on Cs3CdI5 by Materials Project. United States. doi:https://doi.org/10.17188/1281569
The Materials Project. 2020.
"Materials Data on Cs3CdI5 by Materials Project". United States. doi:https://doi.org/10.17188/1281569. https://www.osti.gov/servlets/purl/1281569. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1281569,
title = {Materials Data on Cs3CdI5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3CdI5 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 9-coordinate geometry to nine I1- atoms. There are a spread of Cs–I bond distances ranging from 3.91–4.47 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.82–4.15 Å. Cd2+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Cd–I bond distances ranging from 2.81–2.85 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to five Cs1+ and one Cd2+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to five Cs1+ and one Cd2+ atom. In the third I1- site, I1- is bonded to six Cs1+ atoms to form distorted face-sharing ICs6 octahedra. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to five Cs1+ and one Cd2+ atom.},
doi = {10.17188/1281569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}