Be3N2 crystallizes in the trigonal R3m space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted trigonal planar geometry to one N(2) and three equivalent N(1) atoms. In the second Be site, Be(2) is bonded to one N(1) and three equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing BeN4 tetrahedra. In the third Be site, Be(3) is bonded to one N(1) and three equivalent N(2) atoms to form a mixture of corner and edge-sharing BeN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Be(2), one Be(3), and three equivalent Be(1) atoms to form corner-sharing NBe5 trigonal bipyramids. In the second N site, N(2) is bonded in a 7-coordinate geometry to one Be(1), three equivalent Be(2), and three equivalent Be(3) atoms.
Be3N2 crystallizes in the trigonal R3m space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted trigonal planar geometry to one N(2) and three equivalent N(1) atoms. The Be(1)-N(2) bond length is 2.20 Å. All Be(1)-N(1) bond lengths are 1.65 Å. In the second Be site, Be(2) is bonded to one N(1) and three equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing BeN4 tetrahedra. The Be(2)-N(1) bond length is 1.66 Å. All Be(2)-N(2) bond lengths are 1.84 Å. In the third Be site, Be(3) is bonded to one N(1) and three equivalent N(2) atoms to form a mixture of corner and edge-sharing BeN4 tetrahedra. The Be(3)-N(1) bond length is 1.68 Å. All Be(3)-N(2) bond lengths are 1.78 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Be(2), one Be(3), and three equivalent Be(1) atoms to form corner-sharing NBe5 trigonal bipyramids. In the second N site, N(2) is bonded in a 7-coordinate geometry to one Be(1), three equivalent Be(2), and three equivalent Be(3) atoms.