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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-1197802
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}