Np2Te3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Np sites. In the first Np site, Np(1) is bonded to two equivalent Te(2), three equivalent Te(1), and three equivalent Te(3) atoms to form a mixture of distorted face, corner, and edge-sharing NpTe8 hexagonal bipyramids. In the second Np site, Np(2) is bonded to two equivalent Te(2), two equivalent Te(3), and four equivalent Te(1) atoms to form a mixture of distorted face, corner, and edge-sharing NpTe8 hexagonal bipyramids. In the third Np site, Np(3) is bonded to two equivalent Te(1), two equivalent Te(3), and four equivalent Te(2) atoms to form a mixture of distorted face, corner, and edge-sharing NpTe8 hexagonal bipyramids. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Np(3), two equivalent Np(2), and three equivalent Np(1) atoms to form distorted TeNp6 octahedra that share corners with three equivalent Te(1)Np6 octahedra, corners with five equivalent Te(2)Np5 square pyramids, corners with seven equivalent Te(3)Np5 square pyramids, edges with two equivalent Te(1)Np6 octahedra,  an edgeedge with one Te(3)Np5 square pyramid, edges with three equivalent Te(2)Np5 square pyramids, faces with two equivalent Te(1)Np6 octahedra,  a faceface with one Te(2)Np5 square pyramid, and faces with two equivalent Te(3)Np5 square pyramids. The corner-sharing octahedral tilt angles range from 16-51°. In the second Te site, Te(2) is bonded to one Np(2), two equivalent Np(1), and two equivalent Np(3) atoms to form distorted TeNp5 square pyramids that share corners with five equivalent Te(1)Np6 octahedra, corners with four equivalent Te(2)Np5 square pyramids, corners with four equivalent Te(3)Np5 square pyramids, edges with three equivalent Te(1)Np6 octahedra,  an edgeedge with one Te(2)Np5 square pyramid, edges with four equivalent Te(3)Np5 square pyramids,  a faceface with one Te(1)Np6 octahedra, and  a faceface with one Te(2)Np5 square pyramid. The corner-sharing octahedral tilt angles range from 18-49°. In the third Te site, Te(3) is bonded to one Np(2), one Np(3), and three equivalent Np(1) atoms to form distorted TeNp5 square pyramids that share corners with seven equivalent Te(1)Np6 octahedra, corners with four equivalent Te(2)Np5 square pyramids, corners with five equivalent Te(3)Np5 square pyramids,  an edgeedge with one Te(1)Np6 octahedra, edges with four equivalent Te(2)Np5 square pyramids, faces with two equivalent Te(1)Np6 octahedra, and  a faceface with one Te(3)Np5 square pyramid. The corner-sharing octahedral tilt angles range from 16-51°.
Np2Te3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Np sites. In the first Np site, Np(1) is bonded to two equivalent Te(2), three equivalent Te(1), and three equivalent Te(3) atoms to form a mixture of distorted face, corner, and edge-sharing NpTe8 hexagonal bipyramids. There is one shorter (3.12 Å) and one longer (3.28 Å) Np(1)-Te(2) bond length. There are two shorter (3.16 Å) and one longer (3.31 Å) Np(1)-Te(1) bond length. There are a spread of Np(1)-Te(3) bond distances ranging from 3.13-3.29 Å. In the second Np site, Np(2) is bonded to two equivalent Te(2), two equivalent Te(3), and four equivalent Te(1) atoms to form a mixture of distorted face, corner, and edge-sharing NpTe8 hexagonal bipyramids. Both Np(2)-Te(2) bond lengths are 3.13 Å. Both Np(2)-Te(3) bond lengths are 3.27 Å. There are two shorter (3.13 Å) and two longer (3.33 Å) Np(2)-Te(1) bond lengths. In the third Np site, Np(3) is bonded to two equivalent Te(1), two equivalent Te(3), and four equivalent Te(2) atoms to form a mixture of distorted face, corner, and edge-sharing NpTe8 hexagonal bipyramids. Both Np(3)-Te(1) bond lengths are 3.32 Å. Both Np(3)-Te(3) bond lengths are 3.16 Å. There are two shorter (3.13 Å) and two longer (3.25 Å) Np(3)-Te(2) bond lengths. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Np(3), two equivalent Np(2), and three equivalent Np(1) atoms to form distorted TeNp6 octahedra that share corners with three equivalent Te(1)Np6 octahedra, corners with five equivalent Te(2)Np5 square pyramids, corners with seven equivalent Te(3)Np5 square pyramids, edges with two equivalent Te(1)Np6 octahedra,  an edgeedge with one Te(3)Np5 square pyramid, edges with three equivalent Te(2)Np5 square pyramids, faces with two equivalent Te(1)Np6 octahedra,  a faceface with one Te(2)Np5 square pyramid, and faces with two equivalent Te(3)Np5 square pyramids. The corner-sharing octahedral tilt angles range from 16-51°. In the second Te site, Te(2) is bonded to one Np(2), two equivalent Np(1), and two equivalent Np(3) atoms to form distorted TeNp5 square pyramids that share corners with five equivalent Te(1)Np6 octahedra, corners with four equivalent Te(2)Np5 square pyramids, corners with four equivalent Te(3)Np5 square pyramids, edges with three equivalent Te(1)Np6 octahedra,  an edgeedge with one Te(2)Np5 square pyramid, edges with four equivalent Te(3)Np5 square pyramids,  a faceface with one Te(1)Np6 octahedra, and  a faceface with one Te(2)Np5 square pyramid. The corner-sharing octahedral tilt angles range from 18-49°. In the third Te site, Te(3) is bonded to one Np(2), one Np(3), and three equivalent Np(1) atoms to form distorted TeNp5 square pyramids that share corners with seven equivalent Te(1)Np6 octahedra, corners with four equivalent Te(2)Np5 square pyramids, corners with five equivalent Te(3)Np5 square pyramids,  an edgeedge with one Te(1)Np6 octahedra, edges with four equivalent Te(2)Np5 square pyramids, faces with two equivalent Te(1)Np6 octahedra, and  a faceface with one Te(3)Np5 square pyramid. The corner-sharing octahedral tilt angles range from 16-51°.