DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on K2Sn2Hg3S8 by Materials Project

Abstract

K2Hg3Sn2S8 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.67 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Hg–S bond distances ranging from 2.46–2.91 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (3.32 Å) Hg–S bond lengths. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.38–2.47 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Hg2+, and one Sn4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Hg2+, and one Sn4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one K1+, two equivalent Hg2+, and one Sn4+ atom. In the fourth S2- site,more » S2- is bonded in a 5-coordinate geometry to two equivalent K1+, two Hg2+, and one Sn4+ atom.« less

Publication Date:
Other Number(s):
mp-18115
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; K2Sn2Hg3S8; Hg-K-S-Sn
OSTI Identifier:
1192911
DOI:
https://doi.org/10.17188/1192911

Citation Formats

The Materials Project. Materials Data on K2Sn2Hg3S8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192911.
The Materials Project. Materials Data on K2Sn2Hg3S8 by Materials Project. United States. doi:https://doi.org/10.17188/1192911
The Materials Project. 2020. "Materials Data on K2Sn2Hg3S8 by Materials Project". United States. doi:https://doi.org/10.17188/1192911. https://www.osti.gov/servlets/purl/1192911. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1192911,
title = {Materials Data on K2Sn2Hg3S8 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Hg3Sn2S8 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.67 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Hg–S bond distances ranging from 2.46–2.91 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (3.32 Å) Hg–S bond lengths. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.38–2.47 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Hg2+, and one Sn4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Hg2+, and one Sn4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one K1+, two equivalent Hg2+, and one Sn4+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent K1+, two Hg2+, and one Sn4+ atom.},
doi = {10.17188/1192911},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}