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Title: Materials Data on KF3 by Materials Project

Abstract

KF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of K–F bond distances ranging from 2.73–2.90 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of K–F bond distances ranging from 2.71–3.11 Å. There are six inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to three K atoms. In the second F site, F is bonded in a rectangular see-saw-like geometry to four K atoms. In the third F site, F is bonded in a distorted trigonal non-coplanar geometry to three K atoms. In the fourth F site, F is bonded in a distorted single-bond geometry to two equivalent K atoms. In the fifth F site, F is bonded in a 3-coordinate geometry to three K atoms. In the sixth F site, F is bonded in a distorted trigonal planar geometry to three K atoms.

Authors:
Publication Date:
Other Number(s):
mp-867934
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KF3; F-K
OSTI Identifier:
1312290
DOI:
https://doi.org/10.17188/1312290

Citation Formats

The Materials Project. Materials Data on KF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312290.
The Materials Project. Materials Data on KF3 by Materials Project. United States. doi:https://doi.org/10.17188/1312290
The Materials Project. 2020. "Materials Data on KF3 by Materials Project". United States. doi:https://doi.org/10.17188/1312290. https://www.osti.gov/servlets/purl/1312290. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1312290,
title = {Materials Data on KF3 by Materials Project},
author = {The Materials Project},
abstractNote = {KF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of K–F bond distances ranging from 2.73–2.90 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of K–F bond distances ranging from 2.71–3.11 Å. There are six inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to three K atoms. In the second F site, F is bonded in a rectangular see-saw-like geometry to four K atoms. In the third F site, F is bonded in a distorted trigonal non-coplanar geometry to three K atoms. In the fourth F site, F is bonded in a distorted single-bond geometry to two equivalent K atoms. In the fifth F site, F is bonded in a 3-coordinate geometry to three K atoms. In the sixth F site, F is bonded in a distorted trigonal planar geometry to three K atoms.},
doi = {10.17188/1312290},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}