ZrSn crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to one Zr(1), four equivalent Zr(2), two equivalent Sn(1), two equivalent Sn(3), and three equivalent Sn(2) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to four equivalent Zr(1), one Sn(1), one Sn(3), and four equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted hexagonal planar geometry to two equivalent Zr(2) and four equivalent Zr(1) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to three equivalent Zr(1) and four equivalent Zr(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and four equivalent Zr(1) atoms.
ZrSn crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to one Zr(1), four equivalent Zr(2), two equivalent Sn(1), two equivalent Sn(3), and three equivalent Sn(2) atoms. The Zr(1)-Zr(1) bond length is 3.00 Å. There are a spread of Zr(1)-Zr(2) bond distances ranging from 3.20-3.31 Å. There is one shorter (3.15 Å) and one longer (3.20 Å) Zr(1)-Sn(1) bond length. Both Zr(1)-Sn(3) bond lengths are 3.13 Å. There is one shorter (2.98 Å) and two longer (3.28 Å) Zr(1)-Sn(2) bond lengths. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to four equivalent Zr(1), one Sn(1), one Sn(3), and four equivalent Sn(2) atoms. The Zr(2)-Sn(1) bond length is 3.14 Å. The Zr(2)-Sn(3) bond length is 3.23 Å. There are a spread of Zr(2)-Sn(2) bond distances ranging from 3.05-3.16 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted hexagonal planar geometry to two equivalent Zr(2) and four equivalent Zr(1) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to three equivalent Zr(1) and four equivalent Zr(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and four equivalent Zr(1) atoms.