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Title: Materials Data on K2HfF6 by Materials Project

Abstract

K2HfF6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.73–3.18 Å. Hf4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Hf–F bond distances ranging from 2.05–2.23 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Hf4+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Hf4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Hf4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-14128
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; K2HfF6; F-Hf-K
OSTI Identifier:
1190178
DOI:
https://doi.org/10.17188/1190178

Citation Formats

The Materials Project. Materials Data on K2HfF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190178.
The Materials Project. Materials Data on K2HfF6 by Materials Project. United States. doi:https://doi.org/10.17188/1190178
The Materials Project. 2020. "Materials Data on K2HfF6 by Materials Project". United States. doi:https://doi.org/10.17188/1190178. https://www.osti.gov/servlets/purl/1190178. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1190178,
title = {Materials Data on K2HfF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2HfF6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.73–3.18 Å. Hf4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Hf–F bond distances ranging from 2.05–2.23 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Hf4+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Hf4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Hf4+ atom.},
doi = {10.17188/1190178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}