Title: Materials Data on MgZrF6 by Materials Project

Abstract

MgZrF6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–F bond lengths are 2.01 Å. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–F bond lengths are 2.04 Å. F1- is bonded in a linear geometry to one Mg2+ and one Zr4+ atom.

Publication Date:
Other Number(s):
mp-1025460
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; crystal structure; F-Mg-Zr; MgZrF6
OSTI Identifier:
1355256
DOI:
https://doi.org/10.17188/1355256

Citation Formats

Materials Data on MgZrF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355256.
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Materials Data on MgZrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1355256
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2020. "Materials Data on MgZrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1355256. https://www.osti.gov/servlets/purl/1355256. Pub date:Fri May 08 20:00:00 EDT 2020
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@article{osti_1355256,
title = {Materials Data on MgZrF6 by Materials Project},
abstractNote = {MgZrF6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–F bond lengths are 2.01 Å. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–F bond lengths are 2.04 Å. F1- is bonded in a linear geometry to one Mg2+ and one Zr4+ atom.},
doi = {10.17188/1355256},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1355256
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