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Title: Materials Data on HgH10C2(SO4)2 by Materials Project

Abstract

(CH3)2HgH4(SO4)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two methane molecules and one HgH4(SO4)2 ribbon oriented in the (1, 0, 0) direction. In the HgH4(SO4)2 ribbon, Hg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.32–2.50 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.50 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Hg2+ and two H1+ atoms. In the fourthmore » O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one S2- atom.« less

Publication Date:
Other Number(s):
mp-1190428
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; HgH10C2(SO4)2; C-H-Hg-O-S
OSTI Identifier:
1667000
DOI:
https://doi.org/10.17188/1667000

Citation Formats

The Materials Project. Materials Data on HgH10C2(SO4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1667000.
The Materials Project. Materials Data on HgH10C2(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1667000
The Materials Project. 2019. "Materials Data on HgH10C2(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1667000. https://www.osti.gov/servlets/purl/1667000. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1667000,
title = {Materials Data on HgH10C2(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(CH3)2HgH4(SO4)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two methane molecules and one HgH4(SO4)2 ribbon oriented in the (1, 0, 0) direction. In the HgH4(SO4)2 ribbon, Hg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.32–2.50 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.50 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Hg2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one S2- atom.},
doi = {10.17188/1667000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}