U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiBeNF4 by Materials Project
Abstract
LiBeF3NF crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four monofluoroamine molecules and one LiBeF3 framework. In the LiBeF3 framework, Li1+ is bonded in a trigonal planar geometry to three F1- atoms. There is two shorter (1.83 Å) and one longer (1.85 Å) Li–F bond length. Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There is one shorter (1.47 Å) and two longer (1.48 Å) Be–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Be2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1180551
- 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; LiBeNF4; Be-F-Li-N
- OSTI Identifier:
- 1738984
- DOI:
- https://doi.org/10.17188/1738984
Citation Formats
The Materials Project. Materials Data on LiBeNF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738984.
The Materials Project. Materials Data on LiBeNF4 by Materials Project. United States. doi:https://doi.org/10.17188/1738984
The Materials Project. 2020.
"Materials Data on LiBeNF4 by Materials Project". United States. doi:https://doi.org/10.17188/1738984. https://www.osti.gov/servlets/purl/1738984. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738984,
title = {Materials Data on LiBeNF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiBeF3NF crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four monofluoroamine molecules and one LiBeF3 framework. In the LiBeF3 framework, Li1+ is bonded in a trigonal planar geometry to three F1- atoms. There is two shorter (1.83 Å) and one longer (1.85 Å) Li–F bond length. Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There is one shorter (1.47 Å) and two longer (1.48 Å) Be–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Be2+ atom.},
doi = {10.17188/1738984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}