ZrSn crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to one Zr(2), three equivalent Sn(2), and three equivalent Sn(3) 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 Zr(3), one Sn(3), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to two equivalent Zr(2), one Sn(1), 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 11-coordinate geometry to one Zr(3), three equivalent Zr(2), two equivalent Sn(1), two equivalent Sn(2), and three equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Zr(3), three equivalent Zr(1), three equivalent Zr(2), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Zr(2), three equivalent Zr(1), three equivalent Zr(3), and three equivalent Sn(1) atoms.
ZrSn crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to one Zr(2), three equivalent Sn(2), and three equivalent Sn(3) atoms. The Zr(1)-Zr(2) bond length is 3.30 Å. There are two shorter (3.00 Å) and one longer (3.23 Å) Zr(1)-Sn(2) bond length. There are two shorter (3.03 Å) and one longer (3.24 Å) Zr(1)-Sn(3) bond length. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to one Zr(1), two equivalent Zr(2), two equivalent Zr(3), one Sn(3), three equivalent Sn(1), and three equivalent Sn(2) atoms. Both Zr(2)-Zr(2) bond lengths are 3.14 Å. Both Zr(2)-Zr(3) bond lengths are 3.11 Å. The Zr(2)-Sn(3) bond length is 3.18 Å. There is one shorter (3.23 Å) and two longer (3.43 Å) Zr(2)-Sn(1) bond lengths. There is one shorter (3.07 Å) and two longer (3.14 Å) Zr(2)-Sn(2) bond lengths. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to two equivalent Zr(2), one Sn(1), one Sn(2), and three equivalent Sn(3) atoms. The Zr(3)-Sn(1) bond length is 3.07 Å. The Zr(3)-Sn(2) bond length is 3.01 Å. All Zr(3)-Sn(3) bond lengths are 3.05 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to one Zr(3), three equivalent Zr(2), two equivalent Sn(1), two equivalent Sn(2), and three equivalent Sn(3) atoms. Both Sn(1)-Sn(1) bond lengths are 3.39 Å. Both Sn(1)-Sn(2) bond lengths are 3.23 Å. There are two shorter (3.33 Å) and one longer (3.42 Å) Sn(1)-Sn(3) bond length. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Zr(3), three equivalent Zr(1), three equivalent Zr(2), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Zr(2), three equivalent Zr(1), three equivalent Zr(3), and three equivalent Sn(1) atoms.