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Title: Materials Data on NaVH8(NF3)2 by Materials Project

Abstract

(NH4)2NaVF6 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 NaVF6 framework. In the NaVF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.29 Å. V3+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–F bond lengths are 2.00 Å. F1- is bonded in a linear geometry to one Na1+ and one V3+ atom.

Publication Date:
Other Number(s):
mp-1209962
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; NaVH8(NF3)2; F-H-N-Na-V
OSTI Identifier:
1652875
DOI:
https://doi.org/10.17188/1652875

Citation Formats

The Materials Project. Materials Data on NaVH8(NF3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652875.
The Materials Project. Materials Data on NaVH8(NF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652875
The Materials Project. 2020. "Materials Data on NaVH8(NF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652875. https://www.osti.gov/servlets/purl/1652875. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1652875,
title = {Materials Data on NaVH8(NF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(NH4)2NaVF6 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 NaVF6 framework. In the NaVF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.29 Å. V3+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–F bond lengths are 2.00 Å. F1- is bonded in a linear geometry to one Na1+ and one V3+ atom.},
doi = {10.17188/1652875},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}