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Title: Materials Data on KSbF4 by Materials Project

Abstract

KSbF4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.74–2.88 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.75–3.04 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.98–2.28 Å. In the second Sb3+ site, Sb3+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.99–2.27 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three K1+ and one Sb3+ atom to form a mixture of distorted corner and edge-sharing FK3Sb tetrahedra. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the third F1- site,more » F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to two equivalent K1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two Sb3+ atoms.« less

Publication Date:
Other Number(s):
mp-5079
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; KSbF4; F-K-Sb
OSTI Identifier:
1262795
DOI:
https://doi.org/10.17188/1262795

Citation Formats

The Materials Project. Materials Data on KSbF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262795.
The Materials Project. Materials Data on KSbF4 by Materials Project. United States. doi:https://doi.org/10.17188/1262795
The Materials Project. 2020. "Materials Data on KSbF4 by Materials Project". United States. doi:https://doi.org/10.17188/1262795. https://www.osti.gov/servlets/purl/1262795. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1262795,
title = {Materials Data on KSbF4 by Materials Project},
author = {The Materials Project},
abstractNote = {KSbF4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.74–2.88 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.75–3.04 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.98–2.28 Å. In the second Sb3+ site, Sb3+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.99–2.27 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three K1+ and one Sb3+ atom to form a mixture of distorted corner and edge-sharing FK3Sb tetrahedra. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to two equivalent K1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two Sb3+ atoms.},
doi = {10.17188/1262795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}