U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BiF3 by Materials Project
Abstract
BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Bi3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are a spread of Bi–F bond distances ranging from 2.47–2.92 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to six equivalent Bi3+ and eight F1- atoms. There are a spread of F–F bond distances ranging from 2.45–2.54 Å. In the second F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra. In the third F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra. In the fourth F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra. In the fifth F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-557466
- 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; BiF3; Bi-F
- OSTI Identifier:
- 1269853
- DOI:
- https://doi.org/10.17188/1269853
Citation Formats
The Materials Project. Materials Data on BiF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269853.
The Materials Project. Materials Data on BiF3 by Materials Project. United States. doi:https://doi.org/10.17188/1269853
The Materials Project. 2020.
"Materials Data on BiF3 by Materials Project". United States. doi:https://doi.org/10.17188/1269853. https://www.osti.gov/servlets/purl/1269853. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269853,
title = {Materials Data on BiF3 by Materials Project},
author = {The Materials Project},
abstractNote = {BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Bi3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are a spread of Bi–F bond distances ranging from 2.47–2.92 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to six equivalent Bi3+ and eight F1- atoms. There are a spread of F–F bond distances ranging from 2.45–2.54 Å. In the second F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra. In the third F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra. In the fourth F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra. In the fifth F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra.},
doi = {10.17188/1269853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}