Mn3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Br(1) atoms to form distorted MnMn8Br4 cuboctahedra that share corners with twelve equivalent Mn(1)Mn8Br4 cuboctahedra, edges with eight equivalent Mn(1)Mn8Br4 cuboctahedra, edges with eight equivalent Br(1)Mn12 cuboctahedra, faces with four equivalent Br(1)Mn12 cuboctahedra, and faces with ten equivalent Mn(1)Mn8Br4 cuboctahedra. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to eight equivalent Mn(1) and four equivalent Br(1) atoms. Br(1) is bonded to four equivalent Mn(2) and eight equivalent Mn(1) atoms to form BrMn12 cuboctahedra that share corners with four equivalent Br(1)Mn12 cuboctahedra, edges with eight equivalent Br(1)Mn12 cuboctahedra, edges with sixteen equivalent Mn(1)Mn8Br4 cuboctahedra, faces with four equivalent Br(1)Mn12 cuboctahedra, and faces with eight equivalent Mn(1)Mn8Br4 cuboctahedra.
Mn3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Br(1) atoms to form distorted MnMn8Br4 cuboctahedra that share corners with twelve equivalent Mn(1)Mn8Br4 cuboctahedra, edges with eight equivalent Mn(1)Mn8Br4 cuboctahedra, edges with eight equivalent Br(1)Mn12 cuboctahedra, faces with four equivalent Br(1)Mn12 cuboctahedra, and faces with ten equivalent Mn(1)Mn8Br4 cuboctahedra. All Mn(1)-Mn(1) bond lengths are 2.79 Å. All Mn(1)-Mn(2) bond lengths are 3.03 Å. All Mn(1)-Br(1) bond lengths are 3.03 Å. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to eight equivalent Mn(1) and four equivalent Br(1) atoms. All Mn(2)-Br(1) bond lengths are 2.79 Å. Br(1) is bonded to four equivalent Mn(2) and eight equivalent Mn(1) atoms to form BrMn12 cuboctahedra that share corners with four equivalent Br(1)Mn12 cuboctahedra, edges with eight equivalent Br(1)Mn12 cuboctahedra, edges with sixteen equivalent Mn(1)Mn8Br4 cuboctahedra, faces with four equivalent Br(1)Mn12 cuboctahedra, and faces with eight equivalent Mn(1)Mn8Br4 cuboctahedra.