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Title: Materials Data on K6HgS4 by Materials Project

Abstract

K6HgS4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four S2- atoms to form distorted KS4 tetrahedra that share corners with two equivalent HgS4 tetrahedra, corners with eight equivalent KS4 tetrahedra, and an edgeedge with one HgS4 tetrahedra. There are a spread of K–S bond distances ranging from 3.13–3.26 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.55 Å. Hg2+ is bonded to four S2- atoms to form HgS4 tetrahedra that share corners with six equivalent KS4 tetrahedra and edges with three equivalent KS4 tetrahedra. There are three shorter (2.65 Å) and one longer (2.66 Å) Hg–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 8-coordinate geometry to seven K1+ and one Hg2+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six K1+ and one Hg2+ atom.

Publication Date:
Other Number(s):
mp-5114
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; K6HgS4; Hg-K-S
OSTI Identifier:
1263085
DOI:
https://doi.org/10.17188/1263085

Citation Formats

The Materials Project. Materials Data on K6HgS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263085.
The Materials Project. Materials Data on K6HgS4 by Materials Project. United States. doi:https://doi.org/10.17188/1263085
The Materials Project. 2020. "Materials Data on K6HgS4 by Materials Project". United States. doi:https://doi.org/10.17188/1263085. https://www.osti.gov/servlets/purl/1263085. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1263085,
title = {Materials Data on K6HgS4 by Materials Project},
author = {The Materials Project},
abstractNote = {K6HgS4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four S2- atoms to form distorted KS4 tetrahedra that share corners with two equivalent HgS4 tetrahedra, corners with eight equivalent KS4 tetrahedra, and an edgeedge with one HgS4 tetrahedra. There are a spread of K–S bond distances ranging from 3.13–3.26 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.55 Å. Hg2+ is bonded to four S2- atoms to form HgS4 tetrahedra that share corners with six equivalent KS4 tetrahedra and edges with three equivalent KS4 tetrahedra. There are three shorter (2.65 Å) and one longer (2.66 Å) Hg–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 8-coordinate geometry to seven K1+ and one Hg2+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six K1+ and one Hg2+ atom.},
doi = {10.17188/1263085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}