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Title: Materials Data on HgNCl by Materials Project

Abstract

HgNCl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgNCl ribbons oriented in the (1, 0, 0) direction. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.12 Å. N1- is bonded in a trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.78 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.11 Å. N1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.79 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom.

Publication Date:
Other Number(s):
mp-1190779
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; HgNCl; Cl-Hg-N
OSTI Identifier:
1752871
DOI:
https://doi.org/10.17188/1752871

Citation Formats

The Materials Project. Materials Data on HgNCl by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1752871.
The Materials Project. Materials Data on HgNCl by Materials Project. United States. doi:https://doi.org/10.17188/1752871
The Materials Project. 2019. "Materials Data on HgNCl by Materials Project". United States. doi:https://doi.org/10.17188/1752871. https://www.osti.gov/servlets/purl/1752871. Pub date:Thu Sep 05 00:00:00 EDT 2019
@article{osti_1752871,
title = {Materials Data on HgNCl by Materials Project},
author = {The Materials Project},
abstractNote = {HgNCl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgNCl ribbons oriented in the (1, 0, 0) direction. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.12 Å. N1- is bonded in a trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.78 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.11 Å. N1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.79 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom.},
doi = {10.17188/1752871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}