U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on S2N2O by Materials Project
Abstract
N2S2O is alpha structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N2S2O clusters. there are four inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.63 Å) N–S bond length. In the second N3+ site, N3+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.59 Å) N–S bond length. In the third N3+ site, N3+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.59 Å) N–S bond length. In the fourth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.63 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to two N3+ and two O2- atoms. There is one shorter (1.44 Å) and one longer (1.45 Å) S–O bond length. In the second S2- site,more »
- Publication Date:
- Other Number(s):
- mp-504826
- 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; crystal structure; N-O-S; S2N2O
- OSTI Identifier:
- 1262078
- DOI:
- https://doi.org/10.17188/1262078
Citation Formats
Materials Data on S2N2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262078.
Materials Data on S2N2O by Materials Project. United States. doi:https://doi.org/10.17188/1262078
2020.
"Materials Data on S2N2O by Materials Project". United States. doi:https://doi.org/10.17188/1262078. https://www.osti.gov/servlets/purl/1262078. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1262078,
title = {Materials Data on S2N2O by Materials Project},
abstractNote = {N2S2O is alpha structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N2S2O clusters. there are four inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.63 Å) N–S bond length. In the second N3+ site, N3+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.59 Å) N–S bond length. In the third N3+ site, N3+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.59 Å) N–S bond length. In the fourth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.63 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to two N3+ and two O2- atoms. There is one shorter (1.44 Å) and one longer (1.45 Å) S–O bond length. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two N3+ atoms. In the third S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two N3+ atoms. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to two N3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1262078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}