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Title: Materials Data on K2HfF6 by Materials Project

Abstract

K2HfF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.64 Å) and six longer (2.83 Å) K–F bond lengths. Hf4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.07 Å) and six longer (2.25 Å) Hf–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing FK2Hf2 tetrahedra. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Hf4+ atom.

Publication Date:
Other Number(s):
mp-8415
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; K2HfF6; F-Hf-K
OSTI Identifier:
1308090
DOI:
https://doi.org/10.17188/1308090

Citation Formats

The Materials Project. Materials Data on K2HfF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308090.
The Materials Project. Materials Data on K2HfF6 by Materials Project. United States. doi:https://doi.org/10.17188/1308090
The Materials Project. 2020. "Materials Data on K2HfF6 by Materials Project". United States. doi:https://doi.org/10.17188/1308090. https://www.osti.gov/servlets/purl/1308090. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1308090,
title = {Materials Data on K2HfF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2HfF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.64 Å) and six longer (2.83 Å) K–F bond lengths. Hf4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.07 Å) and six longer (2.25 Å) Hf–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing FK2Hf2 tetrahedra. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Hf4+ atom.},
doi = {10.17188/1308090},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}