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Title: Materials Data on MgAlF5 by Materials Project

Abstract

MgF2AlF3 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two AlF3 ribbons oriented in the (1, 0, 0) direction and two MgF2 ribbons oriented in the (1, 0, 0) direction. In each AlF3 ribbon, Al3+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.67 Å) and two longer (1.70 Å) Al–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom. In each MgF2 ribbon, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent F1- atoms. All Mg–F bond lengths are 2.08 Å. F1- is bonded in a water-like geometry to two equivalent Mg2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1025166
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MgAlF5; Al-F-Mg
OSTI Identifier:
1355447
DOI:
https://doi.org/10.17188/1355447

Citation Formats

The Materials Project. Materials Data on MgAlF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355447.
The Materials Project. Materials Data on MgAlF5 by Materials Project. United States. doi:https://doi.org/10.17188/1355447
The Materials Project. 2020. "Materials Data on MgAlF5 by Materials Project". United States. doi:https://doi.org/10.17188/1355447. https://www.osti.gov/servlets/purl/1355447. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1355447,
title = {Materials Data on MgAlF5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgF2AlF3 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two AlF3 ribbons oriented in the (1, 0, 0) direction and two MgF2 ribbons oriented in the (1, 0, 0) direction. In each AlF3 ribbon, Al3+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.67 Å) and two longer (1.70 Å) Al–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom. In each MgF2 ribbon, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent F1- atoms. All Mg–F bond lengths are 2.08 Å. F1- is bonded in a water-like geometry to two equivalent Mg2+ atoms.},
doi = {10.17188/1355447},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}