ZrSn crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to four equivalent Zr(1), two equivalent Sn(1), and four equivalent Sn(3) atoms. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to four equivalent Zr(1), two equivalent Sn(2), and four 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 two equivalent Zr(2) and four equivalent Zr(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Zr(3) and four equivalent Zr(1) atoms. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Zr(3) atoms.
ZrSn crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. There is one shorter (3.15 Å) and one longer (3.38 Å) Zr(1)-Zr(1) bond length. There is one shorter (3.16 Å) and one longer (3.21 Å) Zr(1)-Zr(2) bond length. Both Zr(1)-Zr(3) bond lengths are 3.18 Å. There is one shorter (3.12 Å) and one longer (3.13 Å) Zr(1)-Sn(1) bond length. Both Zr(1)-Sn(2) bond lengths are 3.13 Å. Both Zr(1)-Sn(3) bond lengths are 3.41 Å. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to four equivalent Zr(1), two equivalent Sn(1), and four equivalent Sn(3) atoms. Both Zr(2)-Sn(1) bond lengths are 3.27 Å. All Zr(2)-Sn(3) bond lengths are 3.11 Å. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to four equivalent Zr(1), two equivalent Sn(2), and four equivalent Sn(3) atoms. Both Zr(3)-Sn(2) bond lengths are 3.27 Å. There are two shorter (3.08 Å) and two longer (3.14 Å) Zr(3)-Sn(3) bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and four equivalent Zr(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Zr(3) and four equivalent Zr(1) atoms. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Zr(3) atoms.