U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on H2NO2 by Materials Project
Abstract
NH2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four NH2O2 clusters. there are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the second N site, N is bonded in a tetrahedral geometry to three H and one O atom. There is one shorter (1.04 Å) and two longer (1.05 Å) N–H bond length. The N–O bond length is 1.42 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.72 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one N atom. In the third H site, H is bonded in a single-bond geometry to one N atom. In the fourth H site, H is bonded in a single-bond geometry to one N atom. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-28349
- 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; H2NO2; H-N-O
- OSTI Identifier:
- 1202469
- DOI:
- https://doi.org/10.17188/1202469
Citation Formats
The Materials Project. Materials Data on H2NO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202469.
The Materials Project. Materials Data on H2NO2 by Materials Project. United States. doi:https://doi.org/10.17188/1202469
The Materials Project. 2020.
"Materials Data on H2NO2 by Materials Project". United States. doi:https://doi.org/10.17188/1202469. https://www.osti.gov/servlets/purl/1202469. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1202469,
title = {Materials Data on H2NO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NH2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four NH2O2 clusters. there are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the second N site, N is bonded in a tetrahedral geometry to three H and one O atom. There is one shorter (1.04 Å) and two longer (1.05 Å) N–H bond length. The N–O bond length is 1.42 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.72 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one N atom. In the third H site, H is bonded in a single-bond geometry to one N atom. In the fourth H site, H is bonded in a single-bond geometry to one N atom. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one N and one H atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a water-like geometry to one N and one H atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom.},
doi = {10.17188/1202469},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}