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

Abstract

TaNF6N2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two ammonia molecules and one TaNF6 ribbon oriented in the (1, 0, 0) direction. In the TaNF6 ribbon, Ta5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.89 Å) and two longer (2.03 Å) Ta–F bond length. N+0.33+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.77 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Ta5+ and one N+0.33+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1208688
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; Ta(NF2)3; F-N-Ta
OSTI Identifier:
1687968
DOI:
https://doi.org/10.17188/1687968

Citation Formats

The Materials Project. Materials Data on Ta(NF2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1687968.
The Materials Project. Materials Data on Ta(NF2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1687968
The Materials Project. 2019. "Materials Data on Ta(NF2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1687968. https://www.osti.gov/servlets/purl/1687968. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1687968,
title = {Materials Data on Ta(NF2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {TaNF6N2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two ammonia molecules and one TaNF6 ribbon oriented in the (1, 0, 0) direction. In the TaNF6 ribbon, Ta5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.89 Å) and two longer (2.03 Å) Ta–F bond length. N+0.33+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.77 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Ta5+ and one N+0.33+ atom.},
doi = {10.17188/1687968},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}