U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BeH4NF3 by Materials Project
Abstract
BeF3NH4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ammonium molecules and four BeF3 clusters. In each BeF3 cluster, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.47–1.50 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom.
- Publication Date:
- Other Number(s):
- mp-723049
- 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; Be-F-H-N; BeH4NF3; crystal structure
- OSTI Identifier:
- 1287586
- DOI:
- https://doi.org/10.17188/1287586
Citation Formats
Materials Data on BeH4NF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287586.
Materials Data on BeH4NF3 by Materials Project. United States. doi:https://doi.org/10.17188/1287586
2020.
"Materials Data on BeH4NF3 by Materials Project". United States. doi:https://doi.org/10.17188/1287586. https://www.osti.gov/servlets/purl/1287586. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1287586,
title = {Materials Data on BeH4NF3 by Materials Project},
abstractNote = {BeF3NH4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ammonium molecules and four BeF3 clusters. In each BeF3 cluster, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.47–1.50 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom.},
doi = {10.17188/1287586},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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