Materials Data on Mg2FeH6 by Materials Project

Kristin Persson
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...
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