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Title: Materials Data on HgINO3 by Materials Project

Abstract

HgNO3I crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two HgNO3I sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to four O2- and two equivalent I1- atoms to form distorted corner-sharing HgI2O4 pentagonal pyramids. There are two shorter (2.61 Å) and two longer (2.75 Å) Hg–O bond lengths. There are one shorter (2.73 Å) and one longer (2.75 Å) Hg–I bond lengths. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one N5+ atom. I1- is bonded in a distorted L-shaped geometry to two equivalent Hg2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557250
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; HgINO3; Hg-I-N-O
OSTI Identifier:
1269756
DOI:
10.17188/1269756

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on HgINO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269756.
Persson, Kristin, & Project, Materials. Materials Data on HgINO3 by Materials Project. United States. doi:10.17188/1269756.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on HgINO3 by Materials Project". United States. doi:10.17188/1269756. https://www.osti.gov/servlets/purl/1269756. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1269756,
title = {Materials Data on HgINO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HgNO3I crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two HgNO3I sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to four O2- and two equivalent I1- atoms to form distorted corner-sharing HgI2O4 pentagonal pyramids. There are two shorter (2.61 Å) and two longer (2.75 Å) Hg–O bond lengths. There are one shorter (2.73 Å) and one longer (2.75 Å) Hg–I bond lengths. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one N5+ atom. I1- is bonded in a distorted L-shaped geometry to two equivalent Hg2+ atoms.},
doi = {10.17188/1269756},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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