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Title: Materials Data on MgWF5 by Materials Project

Abstract

MgWF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Mg–F bond distances ranging from 1.93–2.24 Å. W3+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four shorter (2.10 Å) and two longer (2.16 Å) W–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent W3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to one Mg2+ and one W3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one W3+ atom.

Authors:
Publication Date:
Other Number(s):
mvc-14224
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; MgWF5; F-Mg-W
OSTI Identifier:
1319080
DOI:
https://doi.org/10.17188/1319080

Citation Formats

The Materials Project. Materials Data on MgWF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319080.
The Materials Project. Materials Data on MgWF5 by Materials Project. United States. doi:https://doi.org/10.17188/1319080
The Materials Project. 2020. "Materials Data on MgWF5 by Materials Project". United States. doi:https://doi.org/10.17188/1319080. https://www.osti.gov/servlets/purl/1319080. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319080,
title = {Materials Data on MgWF5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgWF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Mg–F bond distances ranging from 1.93–2.24 Å. W3+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four shorter (2.10 Å) and two longer (2.16 Å) W–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent W3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to one Mg2+ and one W3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one W3+ atom.},
doi = {10.17188/1319080},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}