U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on H7Se2NO6 by Materials Project
Abstract
NH4H3(SeO3)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional and consists of four ammonium molecules and one H3(SeO3)2 framework. In the H3(SeO3)2 framework, 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 (1.55 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 distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. There are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.79 Å) Se–O bond length. In the second Se1+ site, Se1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.71 Å) and one longer (1.80 Å) Se–O bond length. There are six inequivalent O2- sites. In themore »
- Publication Date:
- Other Number(s):
- mp-24354
- 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; H-N-O-Se; H7Se2NO6; crystal structure
- OSTI Identifier:
- 1200048
- DOI:
- https://doi.org/10.17188/1200048
Citation Formats
Materials Data on H7Se2NO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1200048.
Materials Data on H7Se2NO6 by Materials Project. United States. doi:https://doi.org/10.17188/1200048
2020.
"Materials Data on H7Se2NO6 by Materials Project". United States. doi:https://doi.org/10.17188/1200048. https://www.osti.gov/servlets/purl/1200048. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1200048,
title = {Materials Data on H7Se2NO6 by Materials Project},
abstractNote = {NH4H3(SeO3)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional and consists of four ammonium molecules and one H3(SeO3)2 framework. In the H3(SeO3)2 framework, 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 (1.55 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 distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. There are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.79 Å) Se–O bond length. In the second Se1+ site, Se1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.71 Å) and one longer (1.80 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one Se1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one Se1+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Se1+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one Se1+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Se1+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Se1+ atom.},
doi = {10.17188/1200048},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}