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Title: Materials Data on NaTh2F9 by Materials Project

Abstract

NaTh2F9 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Na1+ is bonded in a distorted octahedral geometry to six F1- atoms. There are two shorter (2.31 Å) and four longer (2.50 Å) Na–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 2.26–2.52 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a distorted T-shaped geometry to one Na1+ and two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-3269
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; NaTh2F9; F-Na-Th
OSTI Identifier:
1206353
DOI:
https://doi.org/10.17188/1206353

Citation Formats

The Materials Project. Materials Data on NaTh2F9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206353.
The Materials Project. Materials Data on NaTh2F9 by Materials Project. United States. doi:https://doi.org/10.17188/1206353
The Materials Project. 2020. "Materials Data on NaTh2F9 by Materials Project". United States. doi:https://doi.org/10.17188/1206353. https://www.osti.gov/servlets/purl/1206353. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206353,
title = {Materials Data on NaTh2F9 by Materials Project},
author = {The Materials Project},
abstractNote = {NaTh2F9 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Na1+ is bonded in a distorted octahedral geometry to six F1- atoms. There are two shorter (2.31 Å) and four longer (2.50 Å) Na–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 2.26–2.52 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a distorted T-shaped geometry to one Na1+ and two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms.},
doi = {10.17188/1206353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}