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Title: Materials Data on HgSN3 by Materials Project

Abstract

HgN3S crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two HgN3S sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded in a 2-coordinate geometry to four N atoms. There are a spread of Hg–N bond distances ranging from 2.12–2.65 Å. There are three inequivalent N sites. In the first N site, N is bonded in a distorted single-bond geometry to one Hg2+ atom. In the second N site, N is bonded in a bent 120 degrees geometry to one Hg2+ and one S2- atom. The N–S bond length is 1.53 Å. In the third N site, N is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one S2- atom. The N–S bond length is 1.55 Å. S2- is bonded in a bent 120 degrees geometry to two N atoms.

Publication Date:
Other Number(s):
mp-1200893
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; HgSN3; Hg-N-S
OSTI Identifier:
1759290
DOI:
https://doi.org/10.17188/1759290

Citation Formats

The Materials Project. Materials Data on HgSN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759290.
The Materials Project. Materials Data on HgSN3 by Materials Project. United States. doi:https://doi.org/10.17188/1759290
The Materials Project. 2020. "Materials Data on HgSN3 by Materials Project". United States. doi:https://doi.org/10.17188/1759290. https://www.osti.gov/servlets/purl/1759290. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759290,
title = {Materials Data on HgSN3 by Materials Project},
author = {The Materials Project},
abstractNote = {HgN3S crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two HgN3S sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded in a 2-coordinate geometry to four N atoms. There are a spread of Hg–N bond distances ranging from 2.12–2.65 Å. There are three inequivalent N sites. In the first N site, N is bonded in a distorted single-bond geometry to one Hg2+ atom. In the second N site, N is bonded in a bent 120 degrees geometry to one Hg2+ and one S2- atom. The N–S bond length is 1.53 Å. In the third N site, N is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one S2- atom. The N–S bond length is 1.55 Å. S2- is bonded in a bent 120 degrees geometry to two N atoms.},
doi = {10.17188/1759290},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}