Nd3N2SeBr crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one N(2), three equivalent Se(1), and two equivalent Br(1) atoms to form distorted edge-sharing NdSe3Br2N octahedra. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one N(2), three equivalent N(1), and two equivalent Br(1) atoms. In the third Nd site, Nd(3) is bonded in a 3-coordinate geometry to one N(1), two equivalent N(2), one Se(1), and three equivalent Br(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Nd(3) and three equivalent Nd(2) atoms to form a mixture of distorted corner and edge-sharing NNd4 tetrahedra. In the second N site, N(2) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form a mixture of corner and edge-sharing NNd4 trigonal pyramids. Se(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(3) and three equivalent Nd(1) atoms. Br(1) is bonded in a 7-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and three equivalent Nd(3) atoms.
Nd3N2SeBr crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one N(2), three equivalent Se(1), and two equivalent Br(1) atoms to form distorted edge-sharing NdSe3Br2N octahedra. The Nd(1)-N(2) bond length is 2.19 Å. There are two shorter (2.93 Å) and one longer (3.29 Å) Nd(1)-Se(1) bond length. Both Nd(1)-Br(1) bond lengths are 3.11 Å. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one N(2), three equivalent N(1), and two equivalent Br(1) atoms. The Nd(2)-N(2) bond length is 2.59 Å. There is one shorter (2.34 Å) and two longer (2.37 Å) Nd(2)-N(1) bond lengths. Both Nd(2)-Br(1) bond lengths are 3.67 Å. In the third Nd site, Nd(3) is bonded in a 3-coordinate geometry to one N(1), two equivalent N(2), one Se(1), and three equivalent Br(1) atoms. The Nd(3)-N(1) bond length is 2.23 Å. Both Nd(3)-N(2) bond lengths are 2.37 Å. The Nd(3)-Se(1) bond length is 3.17 Å. There are two shorter (3.56 Å) and one longer (3.68 Å) Nd(3)-Br(1) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Nd(3) and three equivalent Nd(2) atoms to form a mixture of distorted corner and edge-sharing NNd4 tetrahedra. In the second N site, N(2) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form a mixture of corner and edge-sharing NNd4 trigonal pyramids. Se(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(3) and three equivalent Nd(1) atoms. Br(1) is bonded in a 7-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and three equivalent Nd(3) atoms.