ZrSn crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(3), and six equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to one 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 8-coordinate geometry to one Zr(2), three equivalent Zr(1), and four equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Zr(3) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and six equivalent Zr(3) atoms.
ZrSn crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(3), and six equivalent Sn(1) atoms. Both Zr(1)-Sn(2) bond lengths are 3.03 Å. Both Zr(1)-Sn(3) bond lengths are 3.34 Å. There are two shorter (3.19 Å) and four longer (3.28 Å) Zr(1)-Sn(1) bond lengths. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. Both Zr(2)-Sn(1) bond lengths are 3.19 Å. Both Zr(2)-Sn(2) bond lengths are 2.93 Å. Both Zr(2)-Sn(3) bond lengths are 3.04 Å. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to one Sn(2) and three equivalent Sn(3) atoms. The Zr(3)-Sn(2) bond length is 3.04 Å. There is one shorter (3.07 Å) and two longer (3.20 Å) Zr(3)-Sn(3) bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Zr(2), three equivalent Zr(1), and four equivalent Sn(1) atoms. There are a spread of Sn(1)-Sn(1) bond distances ranging from 2.95-3.09 Å. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Zr(3) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and six equivalent Zr(3) atoms.