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Title: Materials Data on HgN2O3 by Materials Project

Abstract

(Hg3N5O9)2N2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional and consists of four ammonia molecules and one Hg3N5O9 framework. In the Hg3N5O9 framework, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent N2+ and two equivalent O2- atoms. Both Hg–N bond lengths are 2.08 Å. Both Hg–O bond lengths are 2.87 Å. There are two inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a trigonal planar geometry to three equivalent Hg2+ atoms. In the second N2+ site, N2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one N2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1202185
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; HgN2O3; Hg-N-O
OSTI Identifier:
1705923
DOI:
https://doi.org/10.17188/1705923

Citation Formats

The Materials Project. Materials Data on HgN2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705923.
The Materials Project. Materials Data on HgN2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1705923
The Materials Project. 2020. "Materials Data on HgN2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1705923. https://www.osti.gov/servlets/purl/1705923. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1705923,
title = {Materials Data on HgN2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {(Hg3N5O9)2N2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional and consists of four ammonia molecules and one Hg3N5O9 framework. In the Hg3N5O9 framework, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent N2+ and two equivalent O2- atoms. Both Hg–N bond lengths are 2.08 Å. Both Hg–O bond lengths are 2.87 Å. There are two inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a trigonal planar geometry to three equivalent Hg2+ atoms. In the second N2+ site, N2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one N2+ atom.},
doi = {10.17188/1705923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}