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MnSe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Se2- atoms to form a mixture of edge, face, and corner-sharing MnSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Mn–Se bond lengths are 2.68 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.
MnSe2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mn4+ is bonded to six equivalent Se2- atoms to form corner-sharing MnSe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Mn–Se bond lengths are 2.55 Å. Se2- is bonded in a distorted trigonal planar geometry to three equivalent Mn4+ atoms.
MnSe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form corner-sharing MnSe4 tetrahedra. All Mn–Se bond lengths are 2.58 Å. Se2- is bonded to four equivalent Mn2+ atoms to form corner-sharing SeMn4 tetrahedra.
MnSe is Vulcanite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one MnSe sheet oriented in the (0, 0, 1) direction. Mn2+ is bonded to four equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing MnSe4 tetrahedra. All Mn–Se bond lengths are 2.39 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Mn2+ atoms.
MnSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Se2- atoms to form a mixture of corner and edge-sharing MnSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–Se bond lengths are 2.71 Å. Se2- is bonded to six equivalent Mn2+ atoms to form a mixture of corner and edge-sharing SeMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
MnSe is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form corner-sharing MnSe4 tetrahedra. All Mn–Se bond lengths are 2.57 Å. Se2- is bonded to four equivalent Mn2+ atoms to form corner-sharing SeMn4 tetrahedra.