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Title: Materials Data on K2S2O5 by Materials Project

Abstract

K2S2O5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to seven O2- atoms to form distorted edge-sharing KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.74–3.00 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.27 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a water-like geometry to two equivalent O2- atoms. Both S–O bond lengths are 1.51 Å. In the second S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one S4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one S4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one S4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4264
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; K2S2O5; K-O-S
OSTI Identifier:
1208012
DOI:
10.17188/1208012

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2S2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208012.
Persson, Kristin, & Project, Materials. Materials Data on K2S2O5 by Materials Project. United States. doi:10.17188/1208012.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2S2O5 by Materials Project". United States. doi:10.17188/1208012. https://www.osti.gov/servlets/purl/1208012. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1208012,
title = {Materials Data on K2S2O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2S2O5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to seven O2- atoms to form distorted edge-sharing KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.74–3.00 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.27 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a water-like geometry to two equivalent O2- atoms. Both S–O bond lengths are 1.51 Å. In the second S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one S4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one S4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one S4+ atom.},
doi = {10.17188/1208012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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