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MnBr2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one MnBr2 sheet oriented in the (0, 0, 1) direction. Mn2+ is bonded to six equivalent Br1- atoms to form edge-sharing MnBr6 octahedra. All Mn–Br bond lengths are 2.71 Å. Br1- is bonded in a distorted T-shaped geometry to three equivalent Mn2+ atoms.
MnBr2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three MnBr2 sheets oriented in the (0, 0, 1) direction. Mn2+ is bonded to six equivalent Br1- atoms to form edge-sharing MnBr6 octahedra. All Mn–Br bond lengths are 2.70 Å. Br1- is bonded in a distorted T-shaped geometry to three equivalent Mn2+ atoms.
Mn3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Br atoms to form distorted MnMn8Br4 cuboctahedra that share corners with twelve equivalent MnMn8Br4 cuboctahedra, edges with eight equivalent MnMn8Br4 cuboctahedra, edges with eight equivalent BrMn12 cuboctahedra, faces with four equivalent BrMn12 cuboctahedra, and faces with ten equivalent MnMn8Br4 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.96 Å) Mn–Mn bond lengths. All Mn–Br bond lengths are 2.96 Å. In the second Mn site, Mn is bonded in a square co-planar geometry to eight equivalent Mn and four equivalent Br atoms. All Mn–Br bond lengths are 2.79 Å. Br is bonded to twelve Mn atoms to form BrMn12 cuboctahedra that share corners with four equivalent BrMn12 cuboctahedra, edges with eight equivalent BrMn12 cuboctahedra, edges with sixteen equivalent MnMn8Br4 cuboctahedra, faces with four equivalent BrMn12 cuboctahedra, and faces with eight equivalent MnMn8Br4 cuboctahedra.