U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KAsO3 by Materials Project
Abstract
KAsO3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.15 Å. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.85–2.92 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.67–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one As5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1194970
- 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; KAsO3; As-K-O
- OSTI Identifier:
- 1729575
- DOI:
- https://doi.org/10.17188/1729575
Citation Formats
The Materials Project. Materials Data on KAsO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1729575.
The Materials Project. Materials Data on KAsO3 by Materials Project. United States. doi:https://doi.org/10.17188/1729575
The Materials Project. 2020.
"Materials Data on KAsO3 by Materials Project". United States. doi:https://doi.org/10.17188/1729575. https://www.osti.gov/servlets/purl/1729575. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1729575,
title = {Materials Data on KAsO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KAsO3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.15 Å. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.85–2.92 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.67–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one As5+ atom.},
doi = {10.17188/1729575},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}