Materials Data on Cs3TlI6 by Materials Project
Abstract
(Cs)2CsTlI6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight cesium molecules and one CsTlI6 framework. In the CsTlI6 framework, Cs1+ is bonded to six equivalent I1- atoms to form CsI6 octahedra that share corners with six equivalent TlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–I bond lengths are 3.61 Å. Tl3+ is bonded to six equivalent I1- atoms to form TlI6 octahedra that share corners with six equivalent CsI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–I bond lengths are 3.02 Å. I1- is bonded in a linear geometry to one Cs1+ and one Tl3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1112949
- 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; Cs3TlI6; Cs-I-Tl
- OSTI Identifier:
- 1727147
- DOI:
- https://doi.org/10.17188/1727147
Citation Formats
The Materials Project. Materials Data on Cs3TlI6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727147.
The Materials Project. Materials Data on Cs3TlI6 by Materials Project. United States. doi:https://doi.org/10.17188/1727147
The Materials Project. 2020.
"Materials Data on Cs3TlI6 by Materials Project". United States. doi:https://doi.org/10.17188/1727147. https://www.osti.gov/servlets/purl/1727147. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1727147,
title = {Materials Data on Cs3TlI6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Cs)2CsTlI6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight cesium molecules and one CsTlI6 framework. In the CsTlI6 framework, Cs1+ is bonded to six equivalent I1- atoms to form CsI6 octahedra that share corners with six equivalent TlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–I bond lengths are 3.61 Å. Tl3+ is bonded to six equivalent I1- atoms to form TlI6 octahedra that share corners with six equivalent CsI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–I bond lengths are 3.02 Å. I1- is bonded in a linear geometry to one Cs1+ and one Tl3+ atom.},
doi = {10.17188/1727147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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