U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on H4NClO by Materials Project
Abstract
H3NOHCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydroxyammonium hydrochloride molecules. N1- is bonded in a distorted tetrahedral geometry to three H1+ and one O2- 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 H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.01 Å. The H–Cl bond length is 2.04 Å. 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. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. O2- is bonded in a water-like geometry to one N1- and one H1+ atom. Cl1- is bonded in a distorted single-bond geometry to one H1+ atom.
- Publication Date:
- Other Number(s):
- mp-24019
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-H-N-O; H4NClO; crystal structure
- OSTI Identifier:
- 1199866
- DOI:
- https://doi.org/10.17188/1199866
Citation Formats
Materials Data on H4NClO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199866.
Materials Data on H4NClO by Materials Project. United States. doi:https://doi.org/10.17188/1199866
2020.
"Materials Data on H4NClO by Materials Project". United States. doi:https://doi.org/10.17188/1199866. https://www.osti.gov/servlets/purl/1199866. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1199866,
title = {Materials Data on H4NClO by Materials Project},
abstractNote = {H3NOHCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydroxyammonium hydrochloride molecules. N1- is bonded in a distorted tetrahedral geometry to three H1+ and one O2- 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 H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.01 Å. The H–Cl bond length is 2.04 Å. 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. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. O2- is bonded in a water-like geometry to one N1- and one H1+ atom. Cl1- is bonded in a distorted single-bond geometry to one H1+ atom.},
doi = {10.17188/1199866},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}