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Title: Materials Data on Sc(NF2)3 by Materials Project

Abstract

ScNF6N2 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 ScNF6 framework. In the ScNF6 framework, Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.07 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.84 Å. F1- is bonded in a linear geometry to one Sc3+ and one N1+ atom.

Publication Date:
Other Number(s):
mp-1078490
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; Sc(NF2)3; F-N-Sc
OSTI Identifier:
1652620
DOI:
https://doi.org/10.17188/1652620

Citation Formats

The Materials Project. Materials Data on Sc(NF2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652620.
The Materials Project. Materials Data on Sc(NF2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1652620
The Materials Project. 2020. "Materials Data on Sc(NF2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1652620. https://www.osti.gov/servlets/purl/1652620. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1652620,
title = {Materials Data on Sc(NF2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScNF6N2 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 ScNF6 framework. In the ScNF6 framework, Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.07 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.84 Å. F1- is bonded in a linear geometry to one Sc3+ and one N1+ atom.},
doi = {10.17188/1652620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}