DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

N2AsNF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two ammonia molecules and one AsNF6 ribbon oriented in the (1, 0, 0) direction. In the AsNF6 ribbon, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.89 Å. N+0.33+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.79 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one As5+ and one N+0.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1214773
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; As(NF2)3; As-F-N
OSTI Identifier:
1654892
DOI:
https://doi.org/10.17188/1654892

Citation Formats

The Materials Project. Materials Data on As(NF2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1654892.
The Materials Project. Materials Data on As(NF2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1654892
The Materials Project. 2019. "Materials Data on As(NF2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1654892. https://www.osti.gov/servlets/purl/1654892. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1654892,
title = {Materials Data on As(NF2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {N2AsNF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two ammonia molecules and one AsNF6 ribbon oriented in the (1, 0, 0) direction. In the AsNF6 ribbon, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.89 Å. N+0.33+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.79 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one As5+ and one N+0.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.},
doi = {10.17188/1654892},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}