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Title: Materials Data on K2ThF6 by Materials Project

Abstract

K2ThF6 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 (2.65 Å) and six longer (2.92 Å) K–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.30 Å) and six longer (2.46 Å) Th–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Th4+ atoms to form a mixture of corner and edge-sharing FK2Th2 tetrahedra. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Th4+ atom.

Publication Date:
Other Number(s):
mp-14193
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; K2ThF6; F-K-Th
OSTI Identifier:
1190201
DOI:
https://doi.org/10.17188/1190201

Citation Formats

The Materials Project. Materials Data on K2ThF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190201.
The Materials Project. Materials Data on K2ThF6 by Materials Project. United States. doi:https://doi.org/10.17188/1190201
The Materials Project. 2020. "Materials Data on K2ThF6 by Materials Project". United States. doi:https://doi.org/10.17188/1190201. https://www.osti.gov/servlets/purl/1190201. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1190201,
title = {Materials Data on K2ThF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2ThF6 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 (2.65 Å) and six longer (2.92 Å) K–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.30 Å) and six longer (2.46 Å) Th–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Th4+ atoms to form a mixture of corner and edge-sharing FK2Th2 tetrahedra. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Th4+ atom.},
doi = {10.17188/1190201},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}