Zr2Sn crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Zr(3) and four equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Zr(3) and four equivalent Sn(1) atoms. In the third Zr site, Zr(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), and six equivalent Sn(1) atoms to form a mixture of distorted edge and face-sharing ZrZr6Sn6 cuboctahedra. Sn(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms.
Zr2Sn crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Zr(3) and four equivalent Sn(1) atoms. Both Zr(1)-Zr(3) bond lengths are 3.31 Å. There are two shorter (3.02 Å) and two longer (3.25 Å) Zr(1)-Sn(1) bond lengths. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Zr(3) and four equivalent Sn(1) atoms. There is one shorter (3.15 Å) and one longer (3.20 Å) Zr(2)-Zr(3) bond length. There are a spread of Zr(2)-Sn(1) bond distances ranging from 2.99-3.25 Å. In the third Zr site, Zr(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), and six equivalent Sn(1) atoms to form a mixture of distorted edge and face-sharing ZrZr6Sn6 cuboctahedra. There are two shorter (3.21 Å) and four longer (3.25 Å) Zr(3)-Sn(1) bond lengths. Sn(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms.