U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Se2S8N4O15 by Materials Project
Abstract
N2N2O(SeS3O4)2(SO3)2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of eight ammonia molecules; four hydroxylamine, o-amino- molecules; eight sulfur trioxide molecules; and four SeS3O4 clusters. In each SeS3O4 cluster, Se5+ is bonded in a bent 120 degrees geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.13 Å) Se–S bond lengths. There are three inequivalent S sites. In the first S site, S is bonded in a 1-coordinate geometry to one Se5+, one S, and one O2- atom. The S–S bond length is 2.42 Å. The S–O bond length is 2.83 Å. In the second S site, S is bonded in a single-bond geometry to one Se5+ atom. In the third S site, S is bonded in a trigonal planar geometry to one S and three O2- atoms. There is one shorter (1.44 Å) and two longer (1.45 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S and one O2- atom. The O–O bond length is 2.96 Å. In the second O2- site, O2- is bonded in a single-bond geometry to two S atoms.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1197802
- 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; Se2S8N4O15; N-O-S-Se
- OSTI Identifier:
- 1745020
- DOI:
- https://doi.org/10.17188/1745020
Citation Formats
The Materials Project. Materials Data on Se2S8N4O15 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1745020.
The Materials Project. Materials Data on Se2S8N4O15 by Materials Project. United States. doi:https://doi.org/10.17188/1745020
The Materials Project. 2019.
"Materials Data on Se2S8N4O15 by Materials Project". United States. doi:https://doi.org/10.17188/1745020. https://www.osti.gov/servlets/purl/1745020. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1745020,
title = {Materials Data on Se2S8N4O15 by Materials Project},
author = {The Materials Project},
abstractNote = {N2N2O(SeS3O4)2(SO3)2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of eight ammonia molecules; four hydroxylamine, o-amino- molecules; eight sulfur trioxide molecules; and four SeS3O4 clusters. In each SeS3O4 cluster, Se5+ is bonded in a bent 120 degrees geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.13 Å) Se–S bond lengths. There are three inequivalent S sites. In the first S site, S is bonded in a 1-coordinate geometry to one Se5+, one S, and one O2- atom. The S–S bond length is 2.42 Å. The S–O bond length is 2.83 Å. In the second S site, S is bonded in a single-bond geometry to one Se5+ atom. In the third S site, S is bonded in a trigonal planar geometry to one S and three O2- atoms. There is one shorter (1.44 Å) and two longer (1.45 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S and one O2- atom. The O–O bond length is 2.96 Å. In the second O2- site, O2- is bonded in a single-bond geometry to two S atoms. In the third O2- site, O2- is bonded in a water-like geometry to two O2- atoms. The O–O bond length is 2.63 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S and one O2- atom.},
doi = {10.17188/1745020},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}