U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KAs(HO2)2 by Materials Project
Abstract
KH2AsO4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.07 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.70 Å) and two longer (1.77 Å) As–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.51 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one As5+, and one H1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one As5+, and one H1+ atom.
- Publication Date:
- Other Number(s):
- mp-1223579
- 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; As-H-K-O; KAs(HO2)2; crystal structure
- OSTI Identifier:
- 1684429
- DOI:
- https://doi.org/10.17188/1684429
Citation Formats
Materials Data on KAs(HO2)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1684429.
Materials Data on KAs(HO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684429
2019.
"Materials Data on KAs(HO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1684429. https://www.osti.gov/servlets/purl/1684429. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1684429,
title = {Materials Data on KAs(HO2)2 by Materials Project},
abstractNote = {KH2AsO4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.07 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.70 Å) and two longer (1.77 Å) As–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.51 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one As5+, and one H1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one As5+, and one H1+ atom.},
doi = {10.17188/1684429},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}