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Title: Materials Data on K2SbF5 by Materials Project

Abstract

K2SbF5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two K2SbF5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of K–F bond distances ranging from 2.91–3.32 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are four shorter (2.61 Å) and one longer (2.72 Å) K–F bond lengths. Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are one shorter (1.99 Å) and four longer (2.12 Å) Sb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to five K1+ and one Sb3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3379
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; K2SbF5; F-K-Sb
OSTI Identifier:
1206660
DOI:
10.17188/1206660

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2SbF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206660.
Persson, Kristin, & Project, Materials. Materials Data on K2SbF5 by Materials Project. United States. doi:10.17188/1206660.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2SbF5 by Materials Project". United States. doi:10.17188/1206660. https://www.osti.gov/servlets/purl/1206660. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1206660,
title = {Materials Data on K2SbF5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2SbF5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two K2SbF5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of K–F bond distances ranging from 2.91–3.32 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are four shorter (2.61 Å) and one longer (2.72 Å) K–F bond lengths. Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are one shorter (1.99 Å) and four longer (2.12 Å) Sb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to five K1+ and one Sb3+ atom.},
doi = {10.17188/1206660},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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