Mn3N4 crystallizes in the hexagonal P6_3/m space group. Mn(1) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to six equivalent Mn(1) atoms to form distorted face-sharing NMn6 pentagonal pyramids. In the second N site, N(1) is bonded in a 3-coordinate geometry to three equivalent Mn(1) atoms.
Mn3N4 crystallizes in the hexagonal P6_3/m space group. Mn(1) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. Both Mn(1)-N(2) bond lengths are 2.00 Å. There is one shorter (1.77 Å) and two longer (1.86 Å) Mn(1)-N(1) bond lengths. There are two inequivalent N sites. In the first N site, N(2) is bonded to six equivalent Mn(1) atoms to form distorted face-sharing NMn6 pentagonal pyramids. In the second N site, N(1) is bonded in a 3-coordinate geometry to three equivalent Mn(1) atoms.