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Title: Materials Data on KAs by Materials Project

Abstract

AsK crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one AsK sheet oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first 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 3.39–3.48 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As1- atoms. There are four shorter (3.39 Å) and two longer (3.47 Å) K–As bond lengths. 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. Both As–As bond lengths are 2.57 Å. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent As1- atoms. Both As–As bond lengths are 2.57 Å.

Publication Date:
Other Number(s):
mp-1180998
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:
1752684
DOI:
https://doi.org/10.17188/1752684

Citation Formats

The Materials Project. Materials Data on KAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752684.
The Materials Project. Materials Data on KAs by Materials Project. United States. doi:https://doi.org/10.17188/1752684
The Materials Project. 2020. "Materials Data on KAs by Materials Project". United States. doi:https://doi.org/10.17188/1752684. https://www.osti.gov/servlets/purl/1752684. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1752684,
title = {Materials Data on KAs by Materials Project},
author = {The Materials Project},
abstractNote = {AsK crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one AsK sheet oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first 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 3.39–3.48 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As1- atoms. There are four shorter (3.39 Å) and two longer (3.47 Å) K–As bond lengths. 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. Both As–As bond lengths are 2.57 Å. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent As1- atoms. Both As–As bond lengths are 2.57 Å.},
doi = {10.17188/1752684},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}