Materials Data on CsMgH3 by Materials Project

Kristin Persson
CsMgH3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve H1- atoms to form CsH12 cuboctahedra that share corners with six equivalent CsH12 cuboctahedra, corners with six equivalent MgH6 octahedra, faces with eight equivalent CsH12 cuboctahedra, and faces with six equivalent MgH6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are six shorter (3.13 Å) and...
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