Zr5GaSn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Ga(1) and five equivalent Sn(1) atoms to form a mixture of distorted edge, corner, and face-sharing ZrGa2Sn5 pentagonal bipyramids. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. Ga(1) is bonded to six equivalent Zr(1) atoms to form face-sharing GaZr6 octahedra. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms.
Zr5GaSn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Ga(1) and five equivalent Sn(1) atoms to form a mixture of distorted edge, corner, and face-sharing ZrGa2Sn5 pentagonal bipyramids. Both Zr(1)-Ga(1) bond lengths are 2.73 Å. There are a spread of Zr(1)-Sn(1) bond distances ranging from 2.99-3.14 Å. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. All Zr(2)-Sn(1) bond lengths are 3.07 Å. Ga(1) is bonded to six equivalent Zr(1) atoms to form face-sharing GaZr6 octahedra. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms.