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Title: Materials Data on Na2ThF6 by Materials Project

Abstract

Na2ThF6 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.35 Å) and three longer (2.47 Å) Na–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.28 Å) and six longer (2.47 Å) Th–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing FNa2Th2 tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Th4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4829
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; Na2ThF6; F-Na-Th
OSTI Identifier:
1208431
DOI:
10.17188/1208431

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2ThF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208431.
Persson, Kristin, & Project, Materials. Materials Data on Na2ThF6 by Materials Project. United States. doi:10.17188/1208431.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2ThF6 by Materials Project". United States. doi:10.17188/1208431. https://www.osti.gov/servlets/purl/1208431. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1208431,
title = {Materials Data on Na2ThF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2ThF6 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.35 Å) and three longer (2.47 Å) Na–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.28 Å) and six longer (2.47 Å) Th–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing FNa2Th2 tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Th4+ atom.},
doi = {10.17188/1208431},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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