ThTaN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Th(1) is bonded to twelve equivalent N(1) atoms to form ThN12 cuboctahedra that share corners with twelve equivalent Th(1)N12 cuboctahedra, faces with six equivalent Th(1)N12 cuboctahedra, and faces with eight equivalent Ta(1)N6 octahedra. Ta(1) is bonded to six equivalent N(1) atoms to form TaN6 octahedra that share corners with six equivalent Ta(1)N6 octahedra and faces with eight equivalent Th(1)N12 cuboctahedra. The corner-sharing octahedra are not tilted. N(1) is bonded in a distorted linear geometry to four equivalent Th(1) and two equivalent Ta(1) atoms.
ThTaN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Th(1) is bonded to twelve equivalent N(1) atoms to form ThN12 cuboctahedra that share corners with twelve equivalent Th(1)N12 cuboctahedra, faces with six equivalent Th(1)N12 cuboctahedra, and faces with eight equivalent Ta(1)N6 octahedra. All Th(1)-N(1) bond lengths are 2.87 Å. Ta(1) is bonded to six equivalent N(1) atoms to form TaN6 octahedra that share corners with six equivalent Ta(1)N6 octahedra and faces with eight equivalent Th(1)N12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ta(1)-N(1) bond lengths are 2.03 Å. N(1) is bonded in a distorted linear geometry to four equivalent Th(1) and two equivalent Ta(1) atoms.