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Title: Materials Data on KSb4F13 by Materials Project

Abstract

KSb4F13 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.72 Å) and four longer (3.01 Å) K–F bond lengths. Sb3+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.54 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a tetrahedral geometry to four equivalent Sb3+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

Publication Date:
Other Number(s):
mp-27211
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; KSb4F13; F-K-Sb
OSTI Identifier:
1201416
DOI:
https://doi.org/10.17188/1201416

Citation Formats

The Materials Project. Materials Data on KSb4F13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201416.
The Materials Project. Materials Data on KSb4F13 by Materials Project. United States. doi:https://doi.org/10.17188/1201416
The Materials Project. 2020. "Materials Data on KSb4F13 by Materials Project". United States. doi:https://doi.org/10.17188/1201416. https://www.osti.gov/servlets/purl/1201416. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1201416,
title = {Materials Data on KSb4F13 by Materials Project},
author = {The Materials Project},
abstractNote = {KSb4F13 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.72 Å) and four longer (3.01 Å) K–F bond lengths. Sb3+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.54 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a tetrahedral geometry to four equivalent Sb3+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1201416},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}