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TbSe is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded to four equivalent Se atoms to form corner-sharing TbSe4 tetrahedra. All Tb–Se bond lengths are 2.79 Å. Se is bonded to four equivalent Tb atoms to form corner-sharing SeTb4 tetrahedra.
TbSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded to six equivalent Se atoms to form a mixture of corner and edge-sharing TbSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–Se bond lengths are 2.90 Å. Se is bonded to six equivalent Tb atoms to form a mixture of corner and edge-sharing SeTb6 octahedra. The corner-sharing octahedral tilt angles are 0°.