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DySe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded to four equivalent Se atoms to form distorted corner-sharing DySe4 trigonal pyramids. There are one shorter (2.77 Å) and three longer (2.81 Å) Dy–Se bond lengths. Se is bonded to four equivalent Dy atoms to form distorted corner-sharing SeDy4 trigonal pyramids.
DySe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded to six equivalent Se atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Se bond lengths are 2.88 Å. Se is bonded to six equivalent Dy atoms to form a mixture of edge and corner-sharing SeDy6 octahedra. The corner-sharing octahedral tilt angles are 0°.