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Title: Materials Data on Mg2FeH6 by Materials Project

Abstract

Mg2FeH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent H1- atoms to form MgH12 cuboctahedra that share corners with twelve equivalent MgH12 cuboctahedra, faces with six equivalent MgH12 cuboctahedra, and faces with four equivalent FeH6 octahedra. All Mg–H bond lengths are 2.27 Å. Fe2+ is bonded to six equivalent H1- atoms to form FeH6 octahedra that share faces with eight equivalent MgH12 cuboctahedra. All Fe–H bond lengths are 1.56 Å. H1- is bonded to four equivalent Mg2+ and one Fe2+ atom to form a mixture of distorted corner, edge, and face-sharing HMg4Fe square pyramids.

Authors:
Publication Date:
Other Number(s):
mp-23804
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; Mg2FeH6; Fe-H-Mg
OSTI Identifier:
1199741
DOI:
https://doi.org/10.17188/1199741

Citation Formats

The Materials Project. Materials Data on Mg2FeH6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199741.
The Materials Project. Materials Data on Mg2FeH6 by Materials Project. United States. doi:https://doi.org/10.17188/1199741
The Materials Project. 2020. "Materials Data on Mg2FeH6 by Materials Project". United States. doi:https://doi.org/10.17188/1199741. https://www.osti.gov/servlets/purl/1199741. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199741,
title = {Materials Data on Mg2FeH6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2FeH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent H1- atoms to form MgH12 cuboctahedra that share corners with twelve equivalent MgH12 cuboctahedra, faces with six equivalent MgH12 cuboctahedra, and faces with four equivalent FeH6 octahedra. All Mg–H bond lengths are 2.27 Å. Fe2+ is bonded to six equivalent H1- atoms to form FeH6 octahedra that share faces with eight equivalent MgH12 cuboctahedra. All Fe–H bond lengths are 1.56 Å. H1- is bonded to four equivalent Mg2+ and one Fe2+ atom to form a mixture of distorted corner, edge, and face-sharing HMg4Fe square pyramids.},
doi = {10.17188/1199741},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}