ZrSn crystallizes in the orthorhombic Pmc2_1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Sn(2), two equivalent Sn(3), and three equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Sn(1) and four equivalent Sn(3) atoms. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to two equivalent Sn(1), three equivalent Sn(2), and three equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to one Zr(2), two equivalent Zr(3), three equivalent Zr(1), and two equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), one Sn(3), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), four equivalent Zr(2), and one Sn(2) atom.
ZrSn crystallizes in the orthorhombic Pmc2_1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Sn(2), two equivalent Sn(3), and three equivalent Sn(1) atoms. Both Zr(1)-Sn(2) bond lengths are 3.08 Å. Both Zr(1)-Sn(3) bond lengths are 3.18 Å. There are a spread of Zr(1)-Sn(1) bond distances ranging from 3.01-3.28 Å. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Sn(1) and four equivalent Sn(3) atoms. The Zr(2)-Sn(1) bond length is 3.19 Å. There are two shorter (3.14 Å) and two longer (3.17 Å) Zr(2)-Sn(3) bond lengths. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to two equivalent Sn(1), three equivalent Sn(2), and three equivalent Sn(3) atoms. Both Zr(3)-Sn(1) bond lengths are 3.07 Å. There are a spread of Zr(3)-Sn(2) bond distances ranging from 3.03-3.69 Å. There are a spread of Zr(3)-Sn(3) bond distances ranging from 3.12-3.15 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to one Zr(2), two equivalent Zr(3), three equivalent Zr(1), and two equivalent Sn(2) atoms. Both Sn(1)-Sn(2) bond lengths are 3.11 Å. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), one Sn(3), two equivalent Sn(1), and two equivalent Sn(2) atoms. The Sn(2)-Sn(3) bond length is 3.30 Å. Both Sn(2)-Sn(2) bond lengths are 3.10 Å. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), four equivalent Zr(2), and one Sn(2) atom.