U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr3MnF6 by Materials Project
Abstract
Zr3MnF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a linear geometry to two equivalent F atoms. Both Zr–F bond lengths are 2.03 Å. In the second Zr site, Zr is bonded in a linear geometry to two equivalent F atoms. Both Zr–F bond lengths are 2.05 Å. In the third Zr site, Zr is bonded in a linear geometry to two equivalent F atoms. Both Zr–F bond lengths are 2.04 Å. Mn is bonded in an octahedral geometry to six F atoms. There are a spread of Mn–F bond distances ranging from 2.05–2.13 Å. There are three inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to one Zr and one Mn atom. In the second F site, F is bonded in a bent 120 degrees geometry to one Zr and one Mn atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Zr and one Mn atom.
- Publication Date:
- Other Number(s):
- mp-1205586
- 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-Mn-Zr; Zr3MnF6; crystal structure
- OSTI Identifier:
- 1672522
- DOI:
- https://doi.org/10.17188/1672522
Citation Formats
Materials Data on Zr3MnF6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1672522.
Materials Data on Zr3MnF6 by Materials Project. United States. doi:https://doi.org/10.17188/1672522
2019.
"Materials Data on Zr3MnF6 by Materials Project". United States. doi:https://doi.org/10.17188/1672522. https://www.osti.gov/servlets/purl/1672522. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1672522,
title = {Materials Data on Zr3MnF6 by Materials Project},
abstractNote = {Zr3MnF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a linear geometry to two equivalent F atoms. Both Zr–F bond lengths are 2.03 Å. In the second Zr site, Zr is bonded in a linear geometry to two equivalent F atoms. Both Zr–F bond lengths are 2.05 Å. In the third Zr site, Zr is bonded in a linear geometry to two equivalent F atoms. Both Zr–F bond lengths are 2.04 Å. Mn is bonded in an octahedral geometry to six F atoms. There are a spread of Mn–F bond distances ranging from 2.05–2.13 Å. There are three inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to one Zr and one Mn atom. In the second F site, F is bonded in a bent 120 degrees geometry to one Zr and one Mn atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Zr and one Mn atom.},
doi = {10.17188/1672522},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}