U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KAlH6(OF3)2 by Materials Project
Abstract
K(H3O)2AlF6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to two equivalent O2- and six equivalent F1- atoms. Both K–O bond lengths are 2.99 Å. All K–F bond lengths are 2.75 Å. Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.84 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.04 Å. The H–F bond length is 1.43 Å. O2- is bonded in a trigonal non-coplanar geometry to one K1+ and three equivalent H1+ atoms. F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Al3+, and one H1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-723378
- 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; KAlH6(OF3)2; Al-F-H-K-O
- OSTI Identifier:
- 1287600
- DOI:
- https://doi.org/10.17188/1287600
Citation Formats
The Materials Project. Materials Data on KAlH6(OF3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287600.
The Materials Project. Materials Data on KAlH6(OF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1287600
The Materials Project. 2020.
"Materials Data on KAlH6(OF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1287600. https://www.osti.gov/servlets/purl/1287600. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287600,
title = {Materials Data on KAlH6(OF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K(H3O)2AlF6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to two equivalent O2- and six equivalent F1- atoms. Both K–O bond lengths are 2.99 Å. All K–F bond lengths are 2.75 Å. Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.84 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.04 Å. The H–F bond length is 1.43 Å. O2- is bonded in a trigonal non-coplanar geometry to one K1+ and three equivalent H1+ atoms. F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Al3+, and one H1+ atom.},
doi = {10.17188/1287600},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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