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Title: Materials Data on HgSNClO3 by Materials Project

Abstract

HgNSO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a 5-coordinate geometry to two equivalent O2- and three equivalent Cl1- atoms. Both Hg–O bond lengths are 2.72 Å. There are one shorter (2.45 Å) and two longer (3.12 Å) Hg–Cl bond lengths. N1- is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are two shorter (3.03 Å) and one longer (3.18 Å) N–O bond lengths. S6+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent N1- and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one S6+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1192535
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; HgSNClO3; Cl-Hg-N-O-S
OSTI Identifier:
1681369
DOI:
https://doi.org/10.17188/1681369

Citation Formats

The Materials Project. Materials Data on HgSNClO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681369.
The Materials Project. Materials Data on HgSNClO3 by Materials Project. United States. doi:https://doi.org/10.17188/1681369
The Materials Project. 2020. "Materials Data on HgSNClO3 by Materials Project". United States. doi:https://doi.org/10.17188/1681369. https://www.osti.gov/servlets/purl/1681369. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1681369,
title = {Materials Data on HgSNClO3 by Materials Project},
author = {The Materials Project},
abstractNote = {HgNSO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a 5-coordinate geometry to two equivalent O2- and three equivalent Cl1- atoms. Both Hg–O bond lengths are 2.72 Å. There are one shorter (2.45 Å) and two longer (3.12 Å) Hg–Cl bond lengths. N1- is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are two shorter (3.03 Å) and one longer (3.18 Å) N–O bond lengths. S6+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent N1- and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one S6+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms.},
doi = {10.17188/1681369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}