DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KAs(HO2)2; As-H-K-O
OSTI Identifier:
1684429
DOI:
https://doi.org/10.17188/1684429

Citation Formats

The Materials Project. Materials Data on KAs(HO2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684429.
The Materials Project. Materials Data on KAs(HO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684429
The Materials Project. 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:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684429,
title = {Materials Data on KAs(HO2)2 by Materials Project},
author = {The 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}
}