NdCrSe3 crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded in a 9-coordinate geometry to two equivalent Se(1), three equivalent Se(2), and four equivalent Se(3) atoms. Cr(1) is bonded to one Se(3), two equivalent Se(2), and three equivalent Se(1) atoms to form edge-sharing CrSe6 octahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Nd(1) and three equivalent Cr(1) atoms to form distorted SeNd2Cr3 trigonal bipyramids that share corners with three equivalent Se(3)Nd4Cr square pyramids, corners with four equivalent Se(1)Nd2Cr3 trigonal bipyramids, edges with four equivalent Se(3)Nd4Cr square pyramids, and edges with two equivalent Se(1)Nd2Cr3 trigonal bipyramids. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent Nd(1) and two equivalent Cr(1) atoms. In the third Se site, Se(3) is bonded to four equivalent Nd(1) and one Cr(1) atom to form distorted SeNd4Cr square pyramids that share corners with four equivalent Se(3)Nd4Cr square pyramids, corners with three equivalent Se(1)Nd2Cr3 trigonal bipyramids, edges with four equivalent Se(3)Nd4Cr square pyramids, and edges with four equivalent Se(1)Nd2Cr3 trigonal bipyramids.
NdCrSe3 crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded in a 9-coordinate geometry to two equivalent Se(1), three equivalent Se(2), and four equivalent Se(3) atoms. There is one shorter (3.14 Å) and one longer (3.31 Å) Nd(1)-Se(1) bond length. There are two shorter (3.06 Å) and one longer (3.19 Å) Nd(1)-Se(2) bond length. There are two shorter (3.09 Å) and two longer (3.10 Å) Nd(1)-Se(3) bond lengths. Cr(1) is bonded to one Se(3), two equivalent Se(2), and three equivalent Se(1) atoms to form edge-sharing CrSe6 octahedra. The Cr(1)-Se(3) bond length is 2.51 Å. Both Cr(1)-Se(2) bond lengths are 2.59 Å. There is one shorter (2.50 Å) and two longer (2.56 Å) Cr(1)-Se(1) bond lengths. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Nd(1) and three equivalent Cr(1) atoms to form distorted SeNd2Cr3 trigonal bipyramids that share corners with three equivalent Se(3)Nd4Cr square pyramids, corners with four equivalent Se(1)Nd2Cr3 trigonal bipyramids, edges with four equivalent Se(3)Nd4Cr square pyramids, and edges with two equivalent Se(1)Nd2Cr3 trigonal bipyramids. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent Nd(1) and two equivalent Cr(1) atoms. In the third Se site, Se(3) is bonded to four equivalent Nd(1) and one Cr(1) atom to form distorted SeNd4Cr square pyramids that share corners with four equivalent Se(3)Nd4Cr square pyramids, corners with three equivalent Se(1)Nd2Cr3 trigonal bipyramids, edges with four equivalent Se(3)Nd4Cr square pyramids, and edges with four equivalent Se(1)Nd2Cr3 trigonal bipyramids.