Materials Data on K2SN2O5 by Materials Project
Abstract
K2N2SO5 crystallizes in the orthorhombic Pnma 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 2.94–3.21 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a distorted bent 120 degrees geometry to one S2- and one O2- atom. The N–S bond length is 1.79 Å. The N–O bond length is 1.31 Å. In the second N5+ site, N5+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.30 Å. S2- is bonded in a tetrahedral geometry to one N5+ and three O2- atoms. There is two shorter (1.46 Å) and one longer (1.47 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one S2- atom. In the fourthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1019784
- 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; K2SN2O5; K-N-O-S
- OSTI Identifier:
- 1350800
- DOI:
- https://doi.org/10.17188/1350800
Citation Formats
The Materials Project. Materials Data on K2SN2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350800.
The Materials Project. Materials Data on K2SN2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1350800
The Materials Project. 2020.
"Materials Data on K2SN2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1350800. https://www.osti.gov/servlets/purl/1350800. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1350800,
title = {Materials Data on K2SN2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2N2SO5 crystallizes in the orthorhombic Pnma 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 2.94–3.21 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a distorted bent 120 degrees geometry to one S2- and one O2- atom. The N–S bond length is 1.79 Å. The N–O bond length is 1.31 Å. In the second N5+ site, N5+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.30 Å. S2- is bonded in a tetrahedral geometry to one N5+ and three O2- atoms. There is two shorter (1.46 Å) and one longer (1.47 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one S2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S2- atom.},
doi = {10.17188/1350800},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}