Th2N3 crystallizes in the trigonal P-3m1 space group. Th(1) is bonded in a 7-coordinate geometry to three equivalent N(1) and four equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Th(1) atoms to form NTh6 octahedra that share corners with twelve equivalent N(2)Th4 tetrahedra, edges with six equivalent N(1)Th6 octahedra, and edges with six equivalent N(2)Th4 tetrahedra. In the second N site, N(2) is bonded to four equivalent Th(1) atoms to form NTh4 tetrahedra that share corners with six equivalent N(1)Th6 octahedra, corners with six equivalent N(2)Th4 tetrahedra, edges with three equivalent N(1)Th6 octahedra, and edges with three equivalent N(2)Th4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-56°.
Th2N3 crystallizes in the trigonal P-3m1 space group. Th(1) is bonded in a 7-coordinate geometry to three equivalent N(1) and four equivalent N(2) atoms. All Th(1)-N(1) bond lengths are 2.73 Å. There are three shorter (2.36 Å) and one longer (2.42 Å) Th(1)-N(2) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Th(1) atoms to form NTh6 octahedra that share corners with twelve equivalent N(2)Th4 tetrahedra, edges with six equivalent N(1)Th6 octahedra, and edges with six equivalent N(2)Th4 tetrahedra. In the second N site, N(2) is bonded to four equivalent Th(1) atoms to form NTh4 tetrahedra that share corners with six equivalent N(1)Th6 octahedra, corners with six equivalent N(2)Th4 tetrahedra, edges with three equivalent N(1)Th6 octahedra, and edges with three equivalent N(2)Th4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-56°.