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Mg2Ge is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Ge atoms to form a mixture of corner, edge, and face-sharing MgMg6Ge6 cuboctahedra. All Mg–Mg bond lengths are 2.85 Å. All Mg–Ge bond lengths are 3.34 Å. Ge is bonded in a 12-coordinate geometry to twelve equivalent Mg atoms.
Mg2Ge is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MgGe4 tetrahedra. All Mg–Ge bond lengths are 2.78 Å. Ge is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
Mg2Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to eight Mg and six equivalent Ge atoms. There are two shorter (3.05 Å) and six longer (3.13 Å) Mg–Mg bond lengths. All Mg–Ge bond lengths are 3.13 Å. In the second Mg site, Mg is bonded to six equivalent Mg and five equivalent Ge atoms to form a mixture of distorted corner and face-sharing MgMg6Ge5 trigonal bipyramids. There are three shorter (2.73 Å) and two longer (3.05 Å) Mg–Ge bond lengths. Ge is bonded in a 11-coordinate geometry to eleven Mg atoms.