MoTc3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mo(1) is bonded to four equivalent Tc(2) and eight equivalent Tc(1) atoms to form MoTc12 cuboctahedra that share corners with four equivalent Mo(1)Tc12 cuboctahedra, corners with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Tc12 cuboctahedra, edges with sixteen equivalent Tc(1)Tc8Mo4 cuboctahedra, faces with four equivalent Mo(1)Tc12 cuboctahedra, faces with six equivalent Tc(2)Tc8Mo4 cuboctahedra, and faces with eight equivalent Tc(1)Tc8Mo4 cuboctahedra. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to four equivalent Mo(1), four equivalent Tc(1), and four equivalent Tc(2) atoms to form TcTc8Mo4 cuboctahedra that share corners with twelve equivalent Tc(1)Tc8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Tc12 cuboctahedra, edges with eight equivalent Tc(1)Tc8Mo4 cuboctahedra, edges with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, faces with four equivalent Mo(1)Tc12 cuboctahedra, faces with four equivalent Tc(2)Tc8Mo4 cuboctahedra, and faces with ten equivalent Tc(1)Tc8Mo4 cuboctahedra. In the second Tc site, Tc(2) is bonded to four equivalent Mo(1) and eight equivalent Tc(1) atoms to form TcTc8Mo4 cuboctahedra that share corners with four equivalent Tc(2)Tc8Mo4 cuboctahedra, corners with eight equivalent Mo(1)Tc12 cuboctahedra, edges with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, edges with sixteen equivalent Tc(1)Tc8Mo4 cuboctahedra, faces with four equivalent Tc(2)Tc8Mo4 cuboctahedra, faces with six equivalent Mo(1)Tc12 cuboctahedra, and faces with eight equivalent Tc(1)Tc8Mo4 cuboctahedra.
MoTc3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mo(1) is bonded to four equivalent Tc(2) and eight equivalent Tc(1) atoms to form MoTc12 cuboctahedra that share corners with four equivalent Mo(1)Tc12 cuboctahedra, corners with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Tc12 cuboctahedra, edges with sixteen equivalent Tc(1)Tc8Mo4 cuboctahedra, faces with four equivalent Mo(1)Tc12 cuboctahedra, faces with six equivalent Tc(2)Tc8Mo4 cuboctahedra, and faces with eight equivalent Tc(1)Tc8Mo4 cuboctahedra. All Mo(1)-Tc(2) bond lengths are 2.77 Å. All Mo(1)-Tc(1) bond lengths are 2.77 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to four equivalent Mo(1), four equivalent Tc(1), and four equivalent Tc(2) atoms to form TcTc8Mo4 cuboctahedra that share corners with twelve equivalent Tc(1)Tc8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Tc12 cuboctahedra, edges with eight equivalent Tc(1)Tc8Mo4 cuboctahedra, edges with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, faces with four equivalent Mo(1)Tc12 cuboctahedra, faces with four equivalent Tc(2)Tc8Mo4 cuboctahedra, and faces with ten equivalent Tc(1)Tc8Mo4 cuboctahedra. All Tc(1)-Tc(1) bond lengths are 2.77 Å. All Tc(1)-Tc(2) bond lengths are 2.77 Å. In the second Tc site, Tc(2) is bonded to four equivalent Mo(1) and eight equivalent Tc(1) atoms to form TcTc8Mo4 cuboctahedra that share corners with four equivalent Tc(2)Tc8Mo4 cuboctahedra, corners with eight equivalent Mo(1)Tc12 cuboctahedra, edges with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, edges with sixteen equivalent Tc(1)Tc8Mo4 cuboctahedra, faces with four equivalent Tc(2)Tc8Mo4 cuboctahedra, faces with six equivalent Mo(1)Tc12 cuboctahedra, and faces with eight equivalent Tc(1)Tc8Mo4 cuboctahedra.