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Title: Materials Data on ThNF by Materials Project

Abstract

ThNF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to four equivalent N3- and four equivalent F1- atoms. There are one shorter (2.36 Å) and three longer (2.39 Å) Th–N bond lengths. There are three shorter (2.62 Å) and one longer (2.68 Å) Th–F bond lengths. N3- is bonded to four equivalent Th4+ atoms to form a mixture of distorted corner and edge-sharing NTh4 tetrahedra. F1- is bonded in a 4-coordinate geometry to four equivalent Th4+ atoms.

Publication Date:
Other Number(s):
mp-8226
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; ThNF; F-N-Th
OSTI Identifier:
1307978
DOI:
https://doi.org/10.17188/1307978

Citation Formats

The Materials Project. Materials Data on ThNF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307978.
The Materials Project. Materials Data on ThNF by Materials Project. United States. doi:https://doi.org/10.17188/1307978
The Materials Project. 2020. "Materials Data on ThNF by Materials Project". United States. doi:https://doi.org/10.17188/1307978. https://www.osti.gov/servlets/purl/1307978. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1307978,
title = {Materials Data on ThNF by Materials Project},
author = {The Materials Project},
abstractNote = {ThNF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to four equivalent N3- and four equivalent F1- atoms. There are one shorter (2.36 Å) and three longer (2.39 Å) Th–N bond lengths. There are three shorter (2.62 Å) and one longer (2.68 Å) Th–F bond lengths. N3- is bonded to four equivalent Th4+ atoms to form a mixture of distorted corner and edge-sharing NTh4 tetrahedra. F1- is bonded in a 4-coordinate geometry to four equivalent Th4+ atoms.},
doi = {10.17188/1307978},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}