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Title: Materials Data on K4HgAs2 by Materials Project

Abstract

K4HgAs2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing KAs4 tetrahedra. There are one shorter (3.35 Å) and three longer (3.51 Å) K–As bond lengths. In the second K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All K–As bond lengths are 3.49 Å. Hg2+ is bonded in a linear geometry to two equivalent As3- atoms. Both Hg–As bond lengths are 2.53 Å. As3- is bonded in a body-centered cubic geometry to seven K1+ and one Hg2+ atom.

Publication Date:
Other Number(s):
mp-29484
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; K4HgAs2; As-Hg-K
OSTI Identifier:
1203962
DOI:
10.17188/1203962

Citation Formats

The Materials Project. Materials Data on K4HgAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203962.
The Materials Project. Materials Data on K4HgAs2 by Materials Project. United States. doi:10.17188/1203962.
The Materials Project. 2020. "Materials Data on K4HgAs2 by Materials Project". United States. doi:10.17188/1203962. https://www.osti.gov/servlets/purl/1203962. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203962,
title = {Materials Data on K4HgAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {K4HgAs2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing KAs4 tetrahedra. There are one shorter (3.35 Å) and three longer (3.51 Å) K–As bond lengths. In the second K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All K–As bond lengths are 3.49 Å. Hg2+ is bonded in a linear geometry to two equivalent As3- atoms. Both Hg–As bond lengths are 2.53 Å. As3- is bonded in a body-centered cubic geometry to seven K1+ and one Hg2+ atom.},
doi = {10.17188/1203962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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