U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Se(SO3)2 by Materials Project
Abstract
K2SeS2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four selen molecules and one KSO3 framework. In the KSO3 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.03 Å. In the second K1+ site, K1+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.88 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.47 Å. In the second S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S2+ atom. In the third O2- site,more »
- Publication Date:
- Other Number(s):
- mp-560223
- 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; K-O-S-Se; K2Se(SO3)2; crystal structure
- OSTI Identifier:
- 1271342
- DOI:
- https://doi.org/10.17188/1271342
Citation Formats
Materials Data on K2Se(SO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271342.
Materials Data on K2Se(SO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1271342
2020.
"Materials Data on K2Se(SO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1271342. https://www.osti.gov/servlets/purl/1271342. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1271342,
title = {Materials Data on K2Se(SO3)2 by Materials Project},
abstractNote = {K2SeS2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four selen molecules and one KSO3 framework. In the KSO3 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.03 Å. In the second K1+ site, K1+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.88 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.47 Å. In the second S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two K1+ and one S2+ atom.},
doi = {10.17188/1271342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}