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Title: Materials Data on K2HfF6 by Materials Project

Abstract

K2HfF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with four equivalent HfF6 octahedra. All K–F bond lengths are 3.10 Å. Hf4+ is bonded to six equivalent F1- atoms to form HfF6 octahedra that share faces with eight equivalent KF12 cuboctahedra. All Hf–F bond lengths are 2.00 Å. F1- is bonded in a single-bond geometry to four equivalent K1+ and one Hf4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-8414
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:
1308089
DOI:
https://doi.org/10.17188/1308089

Citation Formats

The Materials Project. Materials Data on K2HfF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308089.
The Materials Project. Materials Data on K2HfF6 by Materials Project. United States. doi:https://doi.org/10.17188/1308089
The Materials Project. 2020. "Materials Data on K2HfF6 by Materials Project". United States. doi:https://doi.org/10.17188/1308089. https://www.osti.gov/servlets/purl/1308089. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1308089,
title = {Materials Data on K2HfF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2HfF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with four equivalent HfF6 octahedra. All K–F bond lengths are 3.10 Å. Hf4+ is bonded to six equivalent F1- atoms to form HfF6 octahedra that share faces with eight equivalent KF12 cuboctahedra. All Hf–F bond lengths are 2.00 Å. F1- is bonded in a single-bond geometry to four equivalent K1+ and one Hf4+ atom.},
doi = {10.17188/1308089},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}