Nd2Te3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent Te(3), three equivalent Te(1), and three equivalent Te(2) atoms. In the second Nd site, Nd(2) is bonded to two equivalent Te(1), two equivalent Te(2), and three equivalent Te(3) atoms to form a mixture of distorted corner and edge-sharing NdTe7 pentagonal bipyramids. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Nd(2) and three equivalent Nd(1) atoms to form a mixture of distorted corner and edge-sharing TeNd5 trigonal bipyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Nd(2) and three equivalent Nd(1) atoms. In the third Te site, Te(3) is bonded to two equivalent Nd(1) and three equivalent Nd(2) atoms to form a mixture of corner and edge-sharing TeNd5 square pyramids.
Nd2Te3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent Te(3), three equivalent Te(1), and three equivalent Te(2) atoms. Both Nd(1)-Te(3) bond lengths are 3.26 Å. There are two shorter (3.27 Å) and one longer (3.32 Å) Nd(1)-Te(1) bond length. There are two shorter (3.29 Å) and one longer (3.76 Å) Nd(1)-Te(2) bond length. In the second Nd site, Nd(2) is bonded to two equivalent Te(1), two equivalent Te(2), and three equivalent Te(3) atoms to form a mixture of distorted corner and edge-sharing NdTe7 pentagonal bipyramids. Both Nd(2)-Te(1) bond lengths are 3.20 Å. There is one shorter (3.19 Å) and one longer (3.29 Å) Nd(2)-Te(2) bond length. There are two shorter (3.19 Å) and one longer (3.21 Å) Nd(2)-Te(3) bond length. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Nd(2) and three equivalent Nd(1) atoms to form a mixture of distorted corner and edge-sharing TeNd5 trigonal bipyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Nd(2) and three equivalent Nd(1) atoms. In the third Te site, Te(3) is bonded to two equivalent Nd(1) and three equivalent Nd(2) atoms to form a mixture of corner and edge-sharing TeNd5 square pyramids.