Materials Data on Se2N2O5 by Materials Project
Abstract
NONSe2O4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four NSe2O4 clusters. In each NSe2O4 cluster, N4+ is bonded in a distorted water-like geometry to two O2- atoms. There is one shorter (1.16 Å) and one longer (2.11 Å) N–O bond length. There are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.66 Å) and one longer (1.89 Å) Se–O bond length. In the second Se1+ site, Se1+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.84 Å) Se–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N4+ and one Se1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Se1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1201386
- 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; Se2N2O5; N-O-Se
- OSTI Identifier:
- 1710619
- DOI:
- https://doi.org/10.17188/1710619
Citation Formats
The Materials Project. Materials Data on Se2N2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1710619.
The Materials Project. Materials Data on Se2N2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1710619
The Materials Project. 2020.
"Materials Data on Se2N2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1710619. https://www.osti.gov/servlets/purl/1710619. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1710619,
title = {Materials Data on Se2N2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {NONSe2O4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four NSe2O4 clusters. In each NSe2O4 cluster, N4+ is bonded in a distorted water-like geometry to two O2- atoms. There is one shorter (1.16 Å) and one longer (2.11 Å) N–O bond length. There are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.66 Å) and one longer (1.89 Å) Se–O bond length. In the second Se1+ site, Se1+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.84 Å) Se–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N4+ and one Se1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Se1+ atoms.},
doi = {10.17188/1710619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}