U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2TaCl6 by Materials Project
Abstract
Cs2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All Cs–Cl bond lengths are 3.79 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Ta–Cl bond lengths are 2.43 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Ta4+ atom.
- Publication Date:
- Other Number(s):
- mp-569885
- 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; Cl-Cs-Ta; Cs2TaCl6; crystal structure
- OSTI Identifier:
- 1275317
- DOI:
- https://doi.org/10.17188/1275317
Citation Formats
Materials Data on Cs2TaCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275317.
Materials Data on Cs2TaCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1275317
2020.
"Materials Data on Cs2TaCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1275317. https://www.osti.gov/servlets/purl/1275317. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275317,
title = {Materials Data on Cs2TaCl6 by Materials Project},
abstractNote = {Cs2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All Cs–Cl bond lengths are 3.79 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Ta–Cl bond lengths are 2.43 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Ta4+ atom.},
doi = {10.17188/1275317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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