CuSn3Ti5 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Cu(1), one Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the second Ti site, Ti(2) is bonded to two equivalent Cu(1), one Sn(2), two equivalent Sn(1), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the third Ti site, Ti(3) is bonded to two equivalent Cu(1), one Sn(1), two equivalent Sn(3), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the fourth Ti site, Ti(4) is bonded to two equivalent Cu(1), one Sn(2), two equivalent Sn(3), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the fifth Ti site, Ti(5) is bonded in a 8-coordinate geometry to two equivalent Ti(5), one Sn(1), one Sn(2), two equivalent Sn(3), and two equivalent Sn(4) atoms. Cu(1) is bonded to one Ti(1), one Ti(2), two equivalent Ti(3), and two equivalent Ti(4) atoms to form distorted face-sharing CuTi6 octahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), and four equivalent Ti(5) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(1), two equivalent Ti(4), and four equivalent Ti(5) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(3), two equivalent Ti(4), and four equivalent Ti(5) atoms. In the fourth Sn site, Sn(4) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(3), two equivalent Ti(4), and four equivalent Ti(5) atoms.
CuSn3Ti5 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Cu(1), one Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. Both Ti(1)-Cu(1) bond lengths are 2.60 Å. The Ti(1)-Sn(1) bond length is 2.86 Å. Both Ti(1)-Sn(2) bond lengths are 2.94 Å. Both Ti(1)-Sn(3) bond lengths are 2.78 Å. In the second Ti site, Ti(2) is bonded to two equivalent Cu(1), one Sn(2), two equivalent Sn(1), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. Both Ti(2)-Cu(1) bond lengths are 2.57 Å. The Ti(2)-Sn(2) bond length is 2.85 Å. Both Ti(2)-Sn(1) bond lengths are 2.94 Å. Both Ti(2)-Sn(4) bond lengths are 2.79 Å. In the third Ti site, Ti(3) is bonded to two equivalent Cu(1), one Sn(1), two equivalent Sn(3), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. Both Ti(3)-Cu(1) bond lengths are 2.58 Å. The Ti(3)-Sn(1) bond length is 2.79 Å. There is one shorter (2.78 Å) and one longer (2.86 Å) Ti(3)-Sn(3) bond length. Both Ti(3)-Sn(4) bond lengths are 2.94 Å. In the fourth Ti site, Ti(4) is bonded to two equivalent Cu(1), one Sn(2), two equivalent Sn(3), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. Both Ti(4)-Cu(1) bond lengths are 2.59 Å. The Ti(4)-Sn(2) bond length is 2.78 Å. Both Ti(4)-Sn(3) bond lengths are 2.94 Å. There is one shorter (2.78 Å) and one longer (2.86 Å) Ti(4)-Sn(4) bond length. In the fifth Ti site, Ti(5) is bonded in a 8-coordinate geometry to two equivalent Ti(5), one Sn(1), one Sn(2), two equivalent Sn(3), and two equivalent Sn(4) atoms. Both Ti(5)-Ti(5) bond lengths are 2.78 Å. The Ti(5)-Sn(1) bond length is 2.90 Å. The Ti(5)-Sn(2) bond length is 2.90 Å. There is one shorter (2.90 Å) and one longer (2.91 Å) Ti(5)-Sn(3) bond length. Both Ti(5)-Sn(4) bond lengths are 2.90 Å. Cu(1) is bonded to one Ti(1), one Ti(2), two equivalent Ti(3), and two equivalent Ti(4) atoms to form distorted face-sharing CuTi6 octahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), and four equivalent Ti(5) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(1), two equivalent Ti(4), and four equivalent Ti(5) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(3), two equivalent Ti(4), and four equivalent Ti(5) atoms. In the fourth Sn site, Sn(4) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(3), two equivalent Ti(4), and four equivalent Ti(5) atoms.