U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2TaCl6 by Materials Project
Abstract
K2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All K–Cl bond lengths are 3.58 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Ta–Cl bond lengths are 2.42 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ta4+ atom.
- Publication Date:
- Other Number(s):
- mp-31363
- 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-K-Ta; K2TaCl6; crystal structure
- OSTI Identifier:
- 1205610
- DOI:
- https://doi.org/10.17188/1205610
Citation Formats
Materials Data on K2TaCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205610.
Materials Data on K2TaCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1205610
2020.
"Materials Data on K2TaCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1205610. https://www.osti.gov/servlets/purl/1205610. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1205610,
title = {Materials Data on K2TaCl6 by Materials Project},
abstractNote = {K2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All K–Cl bond lengths are 3.58 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Ta–Cl bond lengths are 2.42 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ta4+ atom.},
doi = {10.17188/1205610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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