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Title: Materials Data on K2S2NO6 by Materials Project

Abstract

K2NS2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.31 Å. N2- is bonded in a bent 120 degrees geometry to two equivalent S6+ atoms. Both N–S bond lengths are 1.68 Å. S6+ is bonded to one N2- and three O2- atoms to form corner-sharing SNO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom.

Publication Date:
Other Number(s):
mp-1191936
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; K2S2NO6; K-N-O-S
OSTI Identifier:
1744438
DOI:
https://doi.org/10.17188/1744438

Citation Formats

The Materials Project. Materials Data on K2S2NO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744438.
The Materials Project. Materials Data on K2S2NO6 by Materials Project. United States. doi:https://doi.org/10.17188/1744438
The Materials Project. 2020. "Materials Data on K2S2NO6 by Materials Project". United States. doi:https://doi.org/10.17188/1744438. https://www.osti.gov/servlets/purl/1744438. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744438,
title = {Materials Data on K2S2NO6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2NS2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.31 Å. N2- is bonded in a bent 120 degrees geometry to two equivalent S6+ atoms. Both N–S bond lengths are 1.68 Å. S6+ is bonded to one N2- and three O2- atoms to form corner-sharing SNO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom.},
doi = {10.17188/1744438},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}