U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on H4N2O3 by Materials Project
Abstract
NH4NO3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two NH4NO3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a rectangular see-saw-like geometry to four H1+ atoms. There is two shorter (1.05 Å) and two longer (1.11 Å) N–H bond length. In the second N1+ site, N1+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.28 Å) N–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. In the second H1+ site, H1+ is bonded in a linear geometry to one N1+ and one O2- atom. The H–O bond length is 1.51 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one N1+ and one H1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-626113
- 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; H4N2O3; H-N-O
- OSTI Identifier:
- 1278562
- DOI:
- https://doi.org/10.17188/1278562
Citation Formats
The Materials Project. Materials Data on H4N2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278562.
The Materials Project. Materials Data on H4N2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1278562
The Materials Project. 2020.
"Materials Data on H4N2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1278562. https://www.osti.gov/servlets/purl/1278562. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1278562,
title = {Materials Data on H4N2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {NH4NO3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two NH4NO3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a rectangular see-saw-like geometry to four H1+ atoms. There is two shorter (1.05 Å) and two longer (1.11 Å) N–H bond length. In the second N1+ site, N1+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.28 Å) N–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. In the second H1+ site, H1+ is bonded in a linear geometry to one N1+ and one O2- atom. The H–O bond length is 1.51 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one N1+ and one H1+ atom.},
doi = {10.17188/1278562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}