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Title: Materials Data on HgNCl3O by Materials Project

Abstract

HgCl3NO crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgCl3 ribbons oriented in the (1, 0, 0) direction and four NO ribbons oriented in the (1, 0, 0) direction. In each HgCl3 ribbon, Hg2+ is bonded in a 2-coordinate geometry to four Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.40–2.84 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In each NO ribbon, N3+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.49 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent N3+ atoms.

Publication Date:
Other Number(s):
mp-1192204
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; HgNCl3O; Cl-Hg-N-O
OSTI Identifier:
1707550
DOI:
https://doi.org/10.17188/1707550

Citation Formats

The Materials Project. Materials Data on HgNCl3O by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707550.
The Materials Project. Materials Data on HgNCl3O by Materials Project. United States. doi:https://doi.org/10.17188/1707550
The Materials Project. 2019. "Materials Data on HgNCl3O by Materials Project". United States. doi:https://doi.org/10.17188/1707550. https://www.osti.gov/servlets/purl/1707550. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1707550,
title = {Materials Data on HgNCl3O by Materials Project},
author = {The Materials Project},
abstractNote = {HgCl3NO crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgCl3 ribbons oriented in the (1, 0, 0) direction and four NO ribbons oriented in the (1, 0, 0) direction. In each HgCl3 ribbon, Hg2+ is bonded in a 2-coordinate geometry to four Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.40–2.84 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In each NO ribbon, N3+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.49 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent N3+ atoms.},
doi = {10.17188/1707550},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}