Materials Data on H3NO4 by Materials Project
Abstract
NH3O4 crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of two NH3O4 sheets oriented in the (0, 1, 0) direction. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.51 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.57 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one N5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one N5+ and one H1+ atom. In the third O2- site, O2- is bonded in a bent 120more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-626256
- 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; H3NO4; H-N-O
- OSTI Identifier:
- 1278613
- DOI:
- https://doi.org/10.17188/1278613
Citation Formats
The Materials Project. Materials Data on H3NO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278613.
The Materials Project. Materials Data on H3NO4 by Materials Project. United States. doi:https://doi.org/10.17188/1278613
The Materials Project. 2020.
"Materials Data on H3NO4 by Materials Project". United States. doi:https://doi.org/10.17188/1278613. https://www.osti.gov/servlets/purl/1278613. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1278613,
title = {Materials Data on H3NO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NH3O4 crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of two NH3O4 sheets oriented in the (0, 1, 0) direction. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.51 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.57 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one N5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one N5+ and one H1+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one N5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms.},
doi = {10.17188/1278613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}