Materials Data on MgTi3H8 by Materials Project
MgTi3H8 is Fluorite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Mg–H bond lengths are 1.96 Å. Ti2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Ti–H bond lengths are 1.92 Å. H1- is bonded to one Mg2+ and three equivalent Ti2+ atoms to form a mixture of edge and corner-sharing HMgTi3 tetrahedra.
36 MATERIALS SCIENCE↗