U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AgBF5 by Materials Project
Abstract
AgFBF4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with two equivalent AgF6 octahedra and corners with four equivalent BF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ag–F bond distances ranging from 2.05–2.39 Å. B3+ is bonded to four equivalent F1- atoms to form BF4 tetrahedra that share corners with four equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All B–F bond lengths are 1.42 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ and one B3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-5160
- 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; AgBF5; Ag-B-F
- OSTI Identifier:
- 1263115
- DOI:
- https://doi.org/10.17188/1263115
Citation Formats
The Materials Project. Materials Data on AgBF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263115.
The Materials Project. Materials Data on AgBF5 by Materials Project. United States. doi:https://doi.org/10.17188/1263115
The Materials Project. 2020.
"Materials Data on AgBF5 by Materials Project". United States. doi:https://doi.org/10.17188/1263115. https://www.osti.gov/servlets/purl/1263115. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1263115,
title = {Materials Data on AgBF5 by Materials Project},
author = {The Materials Project},
abstractNote = {AgFBF4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with two equivalent AgF6 octahedra and corners with four equivalent BF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ag–F bond distances ranging from 2.05–2.39 Å. B3+ is bonded to four equivalent F1- atoms to form BF4 tetrahedra that share corners with four equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All B–F bond lengths are 1.42 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ and one B3+ atom.},
doi = {10.17188/1263115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}