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Title: Materials Data on KAs by Materials Project

Abstract

AsK is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five As1- atoms. There are a spread of K–As bond distances ranging from 3.33–3.50 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of K–As bond distances ranging from 3.36–3.68 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent As1- atoms. There are one shorter (2.51 Å) and one longer (2.54 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 7-coordinate geometry to five K1+ and two equivalent As1- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-713
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; As-K
OSTI Identifier:
1286622
DOI:
10.17188/1286622

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286622.
Persson, Kristin, & Project, Materials. Materials Data on KAs by Materials Project. United States. doi:10.17188/1286622.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KAs by Materials Project". United States. doi:10.17188/1286622. https://www.osti.gov/servlets/purl/1286622. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1286622,
title = {Materials Data on KAs by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AsK is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five As1- atoms. There are a spread of K–As bond distances ranging from 3.33–3.50 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of K–As bond distances ranging from 3.36–3.68 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent As1- atoms. There are one shorter (2.51 Å) and one longer (2.54 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 7-coordinate geometry to five K1+ and two equivalent As1- atoms.},
doi = {10.17188/1286622},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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