Ti5MnSn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Mn(1) and five equivalent Sn(1) atoms to form a mixture of distorted corner, edge, and face-sharing TiMn2Sn5 pentagonal bipyramids. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to two equivalent Ti(2) and six equivalent Sn(1) atoms. Mn(1) is bonded to six equivalent Ti(1) atoms to form distorted face-sharing MnTi6 octahedra. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Ti(2) and five equivalent Ti(1) atoms.
Ti5MnSn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Mn(1) and five equivalent Sn(1) atoms to form a mixture of distorted corner, edge, and face-sharing TiMn2Sn5 pentagonal bipyramids. Both Ti(1)-Mn(1) bond lengths are 2.45 Å. There are a spread of Ti(1)-Sn(1) bond distances ranging from 2.85-3.01 Å. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to two equivalent Ti(2) and six equivalent Sn(1) atoms. Both Ti(2)-Ti(2) bond lengths are 2.74 Å. All Ti(2)-Sn(1) bond lengths are 2.88 Å. Mn(1) is bonded to six equivalent Ti(1) atoms to form distorted face-sharing MnTi6 octahedra. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Ti(2) and five equivalent Ti(1) atoms.