U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1212491
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-Hf-N; HfNF5; crystal structure
- OSTI Identifier:
- 1719731
- DOI:
- https://doi.org/10.17188/1719731
Citation Formats
Materials Data on HfNF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719731.
Materials Data on HfNF5 by Materials Project. United States. doi:https://doi.org/10.17188/1719731
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},
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}
}