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Title: Materials Data on NaInH8(NF3)2 by Materials Project

Abstract

NaInF6(NH4)2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaInF6 framework. In the NaInF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.26 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.12 Å. F1- is bonded in a linear geometry to one Na1+ and one In3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643394
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; NaInH8(NF3)2; F-H-In-N-Na
OSTI Identifier:
1280306
DOI:
10.17188/1280306

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaInH8(NF3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280306.
Persson, Kristin, & Project, Materials. Materials Data on NaInH8(NF3)2 by Materials Project. United States. doi:10.17188/1280306.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaInH8(NF3)2 by Materials Project". United States. doi:10.17188/1280306. https://www.osti.gov/servlets/purl/1280306. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1280306,
title = {Materials Data on NaInH8(NF3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaInF6(NH4)2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaInF6 framework. In the NaInF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.26 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.12 Å. F1- is bonded in a linear geometry to one Na1+ and one In3+ atom.},
doi = {10.17188/1280306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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