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MgTe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Te2- atoms to form corner-sharing MgTe4 tetrahedra. All Mg–Te bond lengths are 2.82 Å. Te2- is bonded to four equivalent Mg2+ atoms to form corner-sharing TeMg4 tetrahedra.
MgTe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Te1- atoms to form corner-sharing MgTe6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Mg–Te bond lengths are 2.98 Å. Te1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one Te1- atom. The Te–Te bond length is 2.79 Å.
MgTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing MgTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–Te bond lengths are 2.99 Å. Te2- is bonded to six equivalent Mg2+ atoms to form a mixture of edge and corner-sharing TeMg6 octahedra. The corner-sharing octahedral tilt angles are 0°.
MgTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Te2- atoms to form a mixture of corner, edge, and face-sharing MgTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Mg–Te bond lengths are 2.99 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Mg2+ atoms.
Mg5Te crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Te atoms to form distorted MgMg10Te2 cuboctahedra that share corners with eighteen equivalent MgMg10Te2 cuboctahedra, edges with four equivalent TeMg12 cuboctahedra, edges with six equivalent MgMg10Te2 cuboctahedra, faces with four equivalent TeMg12 cuboctahedra, and faces with eight equivalent MgMg10Te2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.27 Å. Both Mg–Te bond lengths are 3.23 Å. In the second Mg site, Mg is bonded in a distorted trigonal planar geometry to six equivalent Mg and three equivalent Te atoms. All Mg–Te bond lengths are 3.22 Å. Te is bonded to twelve Mg atoms to form TeMg12 cuboctahedra that share corners with six equivalent TeMg12 cuboctahedra, edges with six equivalent TeMg12 cuboctahedra, edges with twelve equivalent MgMg10Te2 cuboctahedra, and faces with twelve equivalent MgMg10Te2 cuboctahedra.