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

Title: Materials Data on K2Hg3S3O10 by Materials Project

Abstract

K2(SO3)3Hg3O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four Hg3O clusters and one K2(SO3)3 framework. In each Hg3O cluster, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.15 Å. In the second Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.11 Å. O2- is bonded in a trigonal non-coplanar geometry to three Hg2+ atoms. In the K2(SO3)3 framework, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.40 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.49 Å. In the second S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ andmore » one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one S4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558792
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; K2Hg3S3O10; Hg-K-O-S
OSTI Identifier:
1270497
DOI:
10.17188/1270497

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2Hg3S3O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270497.
Persson, Kristin, & Project, Materials. Materials Data on K2Hg3S3O10 by Materials Project. United States. doi:10.17188/1270497.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2Hg3S3O10 by Materials Project". United States. doi:10.17188/1270497. https://www.osti.gov/servlets/purl/1270497. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270497,
title = {Materials Data on K2Hg3S3O10 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2(SO3)3Hg3O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four Hg3O clusters and one K2(SO3)3 framework. In each Hg3O cluster, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.15 Å. In the second Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.11 Å. O2- is bonded in a trigonal non-coplanar geometry to three Hg2+ atoms. In the K2(SO3)3 framework, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.40 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.49 Å. In the second S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one S4+ atom.},
doi = {10.17188/1270497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: