U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr3InF15 by Materials Project
Abstract
Zr3InF15 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.12–2.15 Å. In3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All In–F bond lengths are 2.11 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one In3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms.
- Publication Date:
- Other Number(s):
- mp-34291
- 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-In-Zr; Zr3InF15; crystal structure
- OSTI Identifier:
- 1206759
- DOI:
- https://doi.org/10.17188/1206759
Citation Formats
Materials Data on Zr3InF15 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206759.
Materials Data on Zr3InF15 by Materials Project. United States. doi:https://doi.org/10.17188/1206759
2020.
"Materials Data on Zr3InF15 by Materials Project". United States. doi:https://doi.org/10.17188/1206759. https://www.osti.gov/servlets/purl/1206759. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1206759,
title = {Materials Data on Zr3InF15 by Materials Project},
abstractNote = {Zr3InF15 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.12–2.15 Å. In3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All In–F bond lengths are 2.11 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one In3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms.},
doi = {10.17188/1206759},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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