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Title: Materials Data on KHgAs by Materials Project

Abstract

KHgAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing KAs6 octahedra. The corner-sharing octahedral tilt angles are 42°. All K–As bond lengths are 3.70 Å. Hg2+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Hg–As bond lengths are 2.67 Å. As3- is bonded in a 3-coordinate geometry to six equivalent K1+ and three equivalent Hg2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7420
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; KHgAs; As-Hg-K
OSTI Identifier:
1287958
DOI:
10.17188/1287958

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KHgAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287958.
Persson, Kristin, & Project, Materials. Materials Data on KHgAs by Materials Project. United States. doi:10.17188/1287958.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KHgAs by Materials Project". United States. doi:10.17188/1287958. https://www.osti.gov/servlets/purl/1287958. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1287958,
title = {Materials Data on KHgAs by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KHgAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing KAs6 octahedra. The corner-sharing octahedral tilt angles are 42°. All K–As bond lengths are 3.70 Å. Hg2+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Hg–As bond lengths are 2.67 Å. As3- is bonded in a 3-coordinate geometry to six equivalent K1+ and three equivalent Hg2+ atoms.},
doi = {10.17188/1287958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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