MnTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Tl(1) atoms to form MnTl12 cuboctahedra that share corners with six equivalent Mn(1)Tl12 cuboctahedra, corners with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with eighteen equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with eight equivalent Mn(1)Tl12 cuboctahedra, and faces with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra. Tl(1) is bonded to four equivalent Mn(1) and eight equivalent Tl(1) atoms to form TlMn4Tl8 cuboctahedra that share corners with four equivalent Mn(1)Tl12 cuboctahedra, corners with fourteen equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with six equivalent Mn(1)Tl12 cuboctahedra, edges with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with four equivalent Mn(1)Tl12 cuboctahedra, and faces with sixteen equivalent Tl(1)Mn4Tl8 cuboctahedra.
MnTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Tl(1) atoms to form MnTl12 cuboctahedra that share corners with six equivalent Mn(1)Tl12 cuboctahedra, corners with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with eighteen equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with eight equivalent Mn(1)Tl12 cuboctahedra, and faces with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra. There are six shorter (3.32 Å) and six longer (3.35 Å) Mn(1)-Tl(1) bond lengths. Tl(1) is bonded to four equivalent Mn(1) and eight equivalent Tl(1) atoms to form TlMn4Tl8 cuboctahedra that share corners with four equivalent Mn(1)Tl12 cuboctahedra, corners with fourteen equivalent Tl(1)Mn4Tl8 cuboctahedra, edges with six equivalent Mn(1)Tl12 cuboctahedra, edges with twelve equivalent Tl(1)Mn4Tl8 cuboctahedra, faces with four equivalent Mn(1)Tl12 cuboctahedra, and faces with sixteen equivalent Tl(1)Mn4Tl8 cuboctahedra. There are a spread of Tl(1)-Tl(1) bond distances ranging from 3.27-3.44 Å.