U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrPbF6 by Materials Project
Abstract
PbZrF6 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.06 Å) and four longer (2.26 Å) Zr–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–3.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Zr4+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Zr4+ and one Pb2+ atom.
- Publication Date:
- Other Number(s):
- mp-7310
- 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; F-Pb-Zr; ZrPbF6; crystal structure
- OSTI Identifier:
- 1287670
- DOI:
- https://doi.org/10.17188/1287670
Citation Formats
Materials Data on ZrPbF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287670.
Materials Data on ZrPbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1287670
2020.
"Materials Data on ZrPbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1287670. https://www.osti.gov/servlets/purl/1287670. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287670,
title = {Materials Data on ZrPbF6 by Materials Project},
abstractNote = {PbZrF6 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.06 Å) and four longer (2.26 Å) Zr–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–3.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Zr4+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Zr4+ and one Pb2+ atom.},
doi = {10.17188/1287670},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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