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Title: Materials Data on ZrN3F7 by Materials Project

Abstract

(Zr(NF2)3)2F2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one Zr(NF2)3 framework. In the Zr(NF2)3 framework, Zr4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Zr–F bond lengths are 2.04 Å. N1+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.77 Å. F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one N1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1198951
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; ZrN3F7; F-N-Zr
OSTI Identifier:
1696210
DOI:
https://doi.org/10.17188/1696210

Citation Formats

The Materials Project. Materials Data on ZrN3F7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1696210.
The Materials Project. Materials Data on ZrN3F7 by Materials Project. United States. doi:https://doi.org/10.17188/1696210
The Materials Project. 2019. "Materials Data on ZrN3F7 by Materials Project". United States. doi:https://doi.org/10.17188/1696210. https://www.osti.gov/servlets/purl/1696210. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1696210,
title = {Materials Data on ZrN3F7 by Materials Project},
author = {The Materials Project},
abstractNote = {(Zr(NF2)3)2F2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one Zr(NF2)3 framework. In the Zr(NF2)3 framework, Zr4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Zr–F bond lengths are 2.04 Å. N1+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.77 Å. F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one N1+ atom.},
doi = {10.17188/1696210},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}