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Title: Materials Data on HgCN2O3 by Materials Project

Abstract

HgCN(NO3) crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Hg2+ is bonded to one C4+, one N, and six equivalent O2- atoms to form distorted corner-sharing HgCNO6 hexagonal bipyramids. The Hg–C bond length is 2.07 Å. The Hg–N bond length is 2.12 Å. All Hg–O bond lengths are 2.75 Å. C4+ is bonded in a linear geometry to one Hg2+ and one N atom. The C–N bond length is 1.16 Å. There are two inequivalent N sites. In the first N site, N is bonded in a linear geometry to one Hg2+ and one C4+ atom. In the second N site, N is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one N atom.

Publication Date:
Other Number(s):
mp-1224387
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; HgCN2O3; C-Hg-N-O
OSTI Identifier:
1655728
DOI:
https://doi.org/10.17188/1655728

Citation Formats

The Materials Project. Materials Data on HgCN2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655728.
The Materials Project. Materials Data on HgCN2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1655728
The Materials Project. 2020. "Materials Data on HgCN2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1655728. https://www.osti.gov/servlets/purl/1655728. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1655728,
title = {Materials Data on HgCN2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {HgCN(NO3) crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Hg2+ is bonded to one C4+, one N, and six equivalent O2- atoms to form distorted corner-sharing HgCNO6 hexagonal bipyramids. The Hg–C bond length is 2.07 Å. The Hg–N bond length is 2.12 Å. All Hg–O bond lengths are 2.75 Å. C4+ is bonded in a linear geometry to one Hg2+ and one N atom. The C–N bond length is 1.16 Å. There are two inequivalent N sites. In the first N site, N is bonded in a linear geometry to one Hg2+ and one C4+ atom. In the second N site, N is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one N atom.},
doi = {10.17188/1655728},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}