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Title: Materials Data on KTh6F25 by Materials Project

Abstract

KTh6F25 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.19 Å) and six longer (3.24 Å) K–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.34–2.55 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Th4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent Th4+ atoms.

Publication Date:
Other Number(s):
mp-27185
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; KTh6F25; F-K-Th
OSTI Identifier:
1201395
DOI:
10.17188/1201395

Citation Formats

The Materials Project. Materials Data on KTh6F25 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201395.
The Materials Project. Materials Data on KTh6F25 by Materials Project. United States. doi:10.17188/1201395.
The Materials Project. 2020. "Materials Data on KTh6F25 by Materials Project". United States. doi:10.17188/1201395. https://www.osti.gov/servlets/purl/1201395. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1201395,
title = {Materials Data on KTh6F25 by Materials Project},
author = {The Materials Project},
abstractNote = {KTh6F25 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.19 Å) and six longer (3.24 Å) K–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.34–2.55 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Th4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent Th4+ atoms.},
doi = {10.17188/1201395},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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