Mn3Sb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to eight Mn(1,1) and four equivalent Sb(1) atoms to form distorted MnMn8Sb4 cuboctahedra that share corners with four equivalent Sb(1)Mn12 cuboctahedra; corners with fourteen Mn(1,1)Mn8Sb4 cuboctahedra; edges with six equivalent Sb(1)Mn12 cuboctahedra; edges with twelve Mn(1,1)Mn8Sb4 cuboctahedra; faces with four equivalent Sb(1)Mn12 cuboctahedra; and faces with sixteen Mn(1,1)Mn8Sb4 cuboctahedra. In the second Mn site, Mn(1) is bonded to eight equivalent Mn(1) and four equivalent Sb(1) atoms to form distorted MnMn8Sb4 cuboctahedra that share corners with four equivalent Sb(1)Mn12 cuboctahedra; corners with fourteen Mn(1,1)Mn8Sb4 cuboctahedra; edges with six equivalent Sb(1)Mn12 cuboctahedra; edges with twelve equivalent Mn(1)Mn8Sb4 cuboctahedra; faces with four equivalent Sb(1)Mn12 cuboctahedra; and faces with sixteen Mn(1,1)Mn8Sb4 cuboctahedra. Sb(1) is bonded to twelve Mn(1,1) atoms to form SbMn12 cuboctahedra that share corners with six equivalent Sb(1)Mn12 cuboctahedra; corners with twelve Mn(1,1)Mn8Sb4 cuboctahedra; edges with eighteen Mn(1,1)Mn8Sb4 cuboctahedra; faces with eight equivalent Sb(1)Mn12 cuboctahedra; and faces with twelve Mn(1,1)Mn8Sb4 cuboctahedra.
Mn3Sb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to eight Mn(1,1) and four equivalent Sb(1) atoms to form distorted MnMn8Sb4 cuboctahedra that share corners with four equivalent Sb(1)Mn12 cuboctahedra; corners with fourteen Mn(1,1)Mn8Sb4 cuboctahedra; edges with six equivalent Sb(1)Mn12 cuboctahedra; edges with twelve Mn(1,1)Mn8Sb4 cuboctahedra; faces with four equivalent Sb(1)Mn12 cuboctahedra; and faces with sixteen Mn(1,1)Mn8Sb4 cuboctahedra. There are a spread of Mn(1)-Mn(1,1) bond distances ranging from 2.48-2.93 Å. There are two shorter (2.71 Å) and two longer (2.75 Å) Mn(1)-Sb(1) bond lengths. In the second Mn site, Mn(1) is bonded to eight equivalent Mn(1) and four equivalent Sb(1) atoms to form distorted MnMn8Sb4 cuboctahedra that share corners with four equivalent Sb(1)Mn12 cuboctahedra; corners with fourteen Mn(1,1)Mn8Sb4 cuboctahedra; edges with six equivalent Sb(1)Mn12 cuboctahedra; edges with twelve equivalent Mn(1)Mn8Sb4 cuboctahedra; faces with four equivalent Sb(1)Mn12 cuboctahedra; and faces with sixteen Mn(1,1)Mn8Sb4 cuboctahedra. There are two shorter (2.71 Å) and two longer (2.75 Å) Mn(1)-Sb(1) bond lengths. Sb(1) is bonded to twelve Mn(1,1) atoms to form SbMn12 cuboctahedra that share corners with six equivalent Sb(1)Mn12 cuboctahedra; corners with twelve Mn(1,1)Mn8Sb4 cuboctahedra; edges with eighteen Mn(1,1)Mn8Sb4 cuboctahedra; faces with eight equivalent Sb(1)Mn12 cuboctahedra; and faces with twelve Mn(1,1)Mn8Sb4 cuboctahedra.