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Title: Materials Data on HN by Materials Project

Abstract

N4H3NH2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four N4H3 clusters. In each N4H3 cluster, there are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are a spread of N–H bond distances ranging from 1.05–1.08 Å. In the second N1- site, N1- is bonded in a linear geometry to two N1- atoms. There is one shorter (1.18 Å) and one longer (1.19 Å) N–N bond length. In the third N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one N1- and one H1+ atom. The N–H bond length is 1.71 Å. In the fourth N1- site, N1- is bonded in a single-bond geometry to one N1- atom. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two N1- atoms. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom.

Publication Date:
Other Number(s):
mp-720515
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; HN; H-N
OSTI Identifier:
1287194
DOI:
https://doi.org/10.17188/1287194

Citation Formats

The Materials Project. Materials Data on HN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287194.
The Materials Project. Materials Data on HN by Materials Project. United States. doi:https://doi.org/10.17188/1287194
The Materials Project. 2020. "Materials Data on HN by Materials Project". United States. doi:https://doi.org/10.17188/1287194. https://www.osti.gov/servlets/purl/1287194. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1287194,
title = {Materials Data on HN by Materials Project},
author = {The Materials Project},
abstractNote = {N4H3NH2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four N4H3 clusters. In each N4H3 cluster, there are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are a spread of N–H bond distances ranging from 1.05–1.08 Å. In the second N1- site, N1- is bonded in a linear geometry to two N1- atoms. There is one shorter (1.18 Å) and one longer (1.19 Å) N–N bond length. In the third N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one N1- and one H1+ atom. The N–H bond length is 1.71 Å. In the fourth N1- site, N1- is bonded in a single-bond geometry to one N1- atom. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two N1- atoms. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom.},
doi = {10.17188/1287194},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}