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Title: Materials Data on KH4F5 by Materials Project

Abstract

KH4F5 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K1+ is bonded to eight equivalent F1- atoms to form distorted edge-sharing KF8 hexagonal bipyramids. There are four shorter (2.70 Å) and four longer (3.12 Å) K–F bond lengths. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (0.98 Å) and one longer (1.49 Å) H–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a rectangular see-saw-like geometry to four equivalent H1+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one H1+ atom.

Publication Date:
Other Number(s):
mp-632812
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; KH4F5; F-H-K
OSTI Identifier:
1279352
DOI:
10.17188/1279352

Citation Formats

The Materials Project. Materials Data on KH4F5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279352.
The Materials Project. Materials Data on KH4F5 by Materials Project. United States. doi:10.17188/1279352.
The Materials Project. 2020. "Materials Data on KH4F5 by Materials Project". United States. doi:10.17188/1279352. https://www.osti.gov/servlets/purl/1279352. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1279352,
title = {Materials Data on KH4F5 by Materials Project},
author = {The Materials Project},
abstractNote = {KH4F5 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K1+ is bonded to eight equivalent F1- atoms to form distorted edge-sharing KF8 hexagonal bipyramids. There are four shorter (2.70 Å) and four longer (3.12 Å) K–F bond lengths. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (0.98 Å) and one longer (1.49 Å) H–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a rectangular see-saw-like geometry to four equivalent H1+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one H1+ atom.},
doi = {10.17188/1279352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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