Materials Data on Mg3N by Materials Project
Mg3N is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight equivalent Mg and four equivalent N atoms. There are two shorter (2.73 Å) and six longer (2.89 Å) Mg–Mg bond lengths. There are two shorter (2.81 Å) and two longer (2.84 Å) Mg–N bond lengths. N is bonded to twelve equivalent Mg atoms to form a mixture of face and corner-sharing NMg12 cuboctahedra.