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Title: Materials Data on NaSc(NF3)2 by Materials Project

Abstract

NaScF6N2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one NaScF6 framework. In the NaScF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.27 Å. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.03 Å. F1- is bonded in a linear geometry to one Na1+ and one Sc3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1205783
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; NaSc(NF3)2; F-N-Na-Sc
OSTI Identifier:
1676299
DOI:
https://doi.org/10.17188/1676299

Citation Formats

The Materials Project. Materials Data on NaSc(NF3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676299.
The Materials Project. Materials Data on NaSc(NF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1676299
The Materials Project. 2020. "Materials Data on NaSc(NF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1676299. https://www.osti.gov/servlets/purl/1676299. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676299,
title = {Materials Data on NaSc(NF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaScF6N2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one NaScF6 framework. In the NaScF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.27 Å. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.03 Å. F1- is bonded in a linear geometry to one Na1+ and one Sc3+ atom.},
doi = {10.17188/1676299},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}