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Title: Materials Data on KAsO2 by Materials Project

Abstract

KAsO2 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one KAsO2 sheet oriented in the (0, 1, 0) direction. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.31 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.88 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four equivalent K1+ and two equivalent As3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent K1+ and one As3+ atom.

Publication Date:
Other Number(s):
mp-30298
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; KAsO2; As-K-O
OSTI Identifier:
1204720
DOI:
10.17188/1204720

Citation Formats

The Materials Project. Materials Data on KAsO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204720.
The Materials Project. Materials Data on KAsO2 by Materials Project. United States. doi:10.17188/1204720.
The Materials Project. 2020. "Materials Data on KAsO2 by Materials Project". United States. doi:10.17188/1204720. https://www.osti.gov/servlets/purl/1204720. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204720,
title = {Materials Data on KAsO2 by Materials Project},
author = {The Materials Project},
abstractNote = {KAsO2 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one KAsO2 sheet oriented in the (0, 1, 0) direction. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.31 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.88 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four equivalent K1+ and two equivalent As3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent K1+ and one As3+ atom.},
doi = {10.17188/1204720},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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