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 5-coordinate geometry to one Zr(2), two equivalent Sn(3), and three equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to one Zr(1), two equivalent Zr(2), two equivalent Sn(3), three equivalent Sn(1), and four equivalent Sn(2) atoms. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to one Sn(2), two equivalent Sn(1), 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 two equivalent Zr(3), three equivalent Zr(1), three equivalent Zr(2), and two equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 11-coordinate geometry to one Zr(3), four equivalent Zr(2), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), three equivalent Zr(3), and two equivalent Sn(2) atoms.
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 5-coordinate geometry to one Zr(2), two equivalent Sn(3), and three equivalent Sn(1) atoms. The Zr(1)-Zr(2) bond length is 3.20 Å. Both Zr(1)-Sn(3) bond lengths are 3.03 Å. There are a spread of Zr(1)-Sn(1) bond distances ranging from 3.01-3.35 Å. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to one Zr(1), two equivalent Zr(2), two equivalent Sn(3), three equivalent Sn(1), and four equivalent Sn(2) atoms. Both Zr(2)-Zr(2) bond lengths are 3.23 Å. Both Zr(2)-Sn(3) bond lengths are 3.30 Å. There is one shorter (3.04 Å) and two longer (3.28 Å) Zr(2)-Sn(1) bond lengths. There are two shorter (3.16 Å) and two longer (3.20 Å) Zr(2)-Sn(2) bond lengths. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to one Sn(2), two equivalent Sn(1), and three equivalent Sn(3) atoms. The Zr(3)-Sn(2) bond length is 3.31 Å. Both Zr(3)-Sn(1) bond lengths are 3.09 Å. There are a spread of Zr(3)-Sn(3) bond distances ranging from 2.98-3.06 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to two equivalent Zr(3), three equivalent Zr(1), three equivalent Zr(2), and two equivalent Sn(2) atoms. Both Sn(1)-Sn(2) bond lengths are 3.35 Å. In the second Sn site, Sn(2) is bonded in a 11-coordinate geometry to one Zr(3), four equivalent Zr(2), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. Both Sn(2)-Sn(2) bond lengths are 2.99 Å. There is one shorter (3.21 Å) and one longer (3.26 Å) Sn(2)-Sn(3) bond length. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), three equivalent Zr(3), and two equivalent Sn(2) atoms.