BaThN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded to six equivalent N(1) atoms to form distorted BaN6 pentagonal pyramids that share corners with six equivalent Th(1)N6 octahedra, edges with six equivalent Th(1)N6 octahedra, and edges with six equivalent Ba(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°. Th(1) is bonded to six equivalent N(1) atoms to form ThN6 octahedra that share corners with six equivalent Ba(1)N6 pentagonal pyramids, edges with six equivalent Th(1)N6 octahedra, and edges with six equivalent Ba(1)N6 pentagonal pyramids. N(1) is bonded to three equivalent Ba(1) and three equivalent Th(1) atoms to form a mixture of face, corner, and edge-sharing NBa3Th3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°.
BaThN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded to six equivalent N(1) atoms to form distorted BaN6 pentagonal pyramids that share corners with six equivalent Th(1)N6 octahedra, edges with six equivalent Th(1)N6 octahedra, and edges with six equivalent Ba(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°. All Ba(1)-N(1) bond lengths are 2.93 Å. Th(1) is bonded to six equivalent N(1) atoms to form ThN6 octahedra that share corners with six equivalent Ba(1)N6 pentagonal pyramids, edges with six equivalent Th(1)N6 octahedra, and edges with six equivalent Ba(1)N6 pentagonal pyramids. All Th(1)-N(1) bond lengths are 2.51 Å. N(1) is bonded to three equivalent Ba(1) and three equivalent Th(1) atoms to form a mixture of face, corner, and edge-sharing NBa3Th3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°.