DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KSO2F by Materials Project

Abstract

KSO2F crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to six O2- and three equivalent F1- atoms. There are a spread of K–O bond distances ranging from 2.89–3.25 Å. There are a spread of K–F bond distances ranging from 2.84–3.00 Å. S4+ is bonded in a trigonal non-coplanar geometry to two O2- and one F1- atom. There is one shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. The S–F bond length is 1.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. F1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one S4+ atom.

Publication Date:
Other Number(s):
mp-1223363
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; KSO2F; F-K-O-S
OSTI Identifier:
1745942
DOI:
https://doi.org/10.17188/1745942

Citation Formats

The Materials Project. Materials Data on KSO2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745942.
The Materials Project. Materials Data on KSO2F by Materials Project. United States. doi:https://doi.org/10.17188/1745942
The Materials Project. 2020. "Materials Data on KSO2F by Materials Project". United States. doi:https://doi.org/10.17188/1745942. https://www.osti.gov/servlets/purl/1745942. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1745942,
title = {Materials Data on KSO2F by Materials Project},
author = {The Materials Project},
abstractNote = {KSO2F crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to six O2- and three equivalent F1- atoms. There are a spread of K–O bond distances ranging from 2.89–3.25 Å. There are a spread of K–F bond distances ranging from 2.84–3.00 Å. S4+ is bonded in a trigonal non-coplanar geometry to two O2- and one F1- atom. There is one shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. The S–F bond length is 1.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. F1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one S4+ atom.},
doi = {10.17188/1745942},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}