Materials Data on MgNiH by Materials Project
MgNiH crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to four equivalent H atoms. All Mg–H bond lengths are 2.18 Å. Ni is bonded in a linear geometry to two equivalent H atoms. Both Ni–H bond lengths are 1.63 Å. H is bonded to four equivalent Mg and two equivalent Ni atoms to form a mixture of edge and corner-sharing HMg4Ni2 octahedra. The corner-sharing octahedral tilt angles are 0°.
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