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Title: Materials Data on HfNF5 by Materials Project

Abstract

HfF4NF crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four monofluoroamine molecules and one HfF4 sheet oriented in the (1, 0, 0) direction. In the HfF4 sheet, Hf4+ is bonded to six F1- atoms to form corner-sharing HfF6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Hf–F bond distances ranging from 1.92–2.14 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Hf4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Hf4+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Hf4+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Hf4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1212491
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; HfNF5; F-Hf-N
OSTI Identifier:
1719731
DOI:
https://doi.org/10.17188/1719731

Citation Formats

The Materials Project. Materials Data on HfNF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719731.
The Materials Project. Materials Data on HfNF5 by Materials Project. United States. doi:https://doi.org/10.17188/1719731
The Materials Project. 2020. "Materials Data on HfNF5 by Materials Project". United States. doi:https://doi.org/10.17188/1719731. https://www.osti.gov/servlets/purl/1719731. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1719731,
title = {Materials Data on HfNF5 by Materials Project},
author = {The Materials Project},
abstractNote = {HfF4NF crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four monofluoroamine molecules and one HfF4 sheet oriented in the (1, 0, 0) direction. In the HfF4 sheet, Hf4+ is bonded to six F1- atoms to form corner-sharing HfF6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Hf–F bond distances ranging from 1.92–2.14 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Hf4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Hf4+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Hf4+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Hf4+ atom.},
doi = {10.17188/1719731},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}