U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2TlInH6 by Materials Project
Abstract
Cs2InH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2InH6 framework. In the Cs2InH6 framework, Cs1+ is bonded to twelve equivalent H+0.67- atoms to form CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent InH6 octahedra. All Cs–H bond lengths are 3.26 Å. In1+ is bonded to six equivalent H+0.67- atoms to form InH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All In–H bond lengths are 1.98 Å. H+0.67- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one In1+ atom.
- Publication Date:
- Other Number(s):
- mp-996945
- 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; Cs-H-In-Tl; Cs2TlInH6; crystal structure
- OSTI Identifier:
- 1317071
- DOI:
- https://doi.org/10.17188/1317071
Citation Formats
Materials Data on Cs2TlInH6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317071.
Materials Data on Cs2TlInH6 by Materials Project. United States. doi:https://doi.org/10.17188/1317071
2020.
"Materials Data on Cs2TlInH6 by Materials Project". United States. doi:https://doi.org/10.17188/1317071. https://www.osti.gov/servlets/purl/1317071. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1317071,
title = {Materials Data on Cs2TlInH6 by Materials Project},
abstractNote = {Cs2InH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2InH6 framework. In the Cs2InH6 framework, Cs1+ is bonded to twelve equivalent H+0.67- atoms to form CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent InH6 octahedra. All Cs–H bond lengths are 3.26 Å. In1+ is bonded to six equivalent H+0.67- atoms to form InH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All In–H bond lengths are 1.98 Å. H+0.67- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one In1+ atom.},
doi = {10.17188/1317071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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