U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Bi2PbF8 by Materials Project
Abstract
PbBi2F8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pb2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Pb–F bond lengths are 2.60 Å. Bi3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Bi–F bond distances ranging from 2.26–2.62 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Pb2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing FBi2Pb2 tetrahedra. In the second F1- site, F1- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing FBi4 tetrahedra. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi3+ atom.
- Publication Date:
- Other Number(s):
- mp-1229287
- 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; Bi-F-Pb; Bi2PbF8; crystal structure
- OSTI Identifier:
- 1672371
- DOI:
- https://doi.org/10.17188/1672371
Citation Formats
Materials Data on Bi2PbF8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672371.
Materials Data on Bi2PbF8 by Materials Project. United States. doi:https://doi.org/10.17188/1672371
2020.
"Materials Data on Bi2PbF8 by Materials Project". United States. doi:https://doi.org/10.17188/1672371. https://www.osti.gov/servlets/purl/1672371. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672371,
title = {Materials Data on Bi2PbF8 by Materials Project},
abstractNote = {PbBi2F8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pb2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Pb–F bond lengths are 2.60 Å. Bi3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Bi–F bond distances ranging from 2.26–2.62 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Pb2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing FBi2Pb2 tetrahedra. In the second F1- site, F1- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing FBi4 tetrahedra. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi3+ atom.},
doi = {10.17188/1672371},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}