Zr2Sn crystallizes in the hexagonal P-62m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Zr(2) and four equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded to six equivalent Zr(1) and six equivalent Sn(1) atoms to form ZrZr6Sn6 cuboctahedra that share corners with twelve equivalent Sn(1)Zr9 cuboctahedra, edges with six equivalent Zr(2)Zr6Sn6 cuboctahedra, edges with six equivalent Sn(1)Zr9 cuboctahedra, and faces with two equivalent Zr(2)Zr6Sn6 cuboctahedra. Sn(1) is bonded to three equivalent Zr(2) and six equivalent Zr(1) atoms to form distorted SnZr9 cuboctahedra that share corners with six equivalent Zr(2)Zr6Sn6 cuboctahedra, corners with fifteen equivalent Sn(1)Zr9 cuboctahedra, edges with three equivalent Zr(2)Zr6Sn6 cuboctahedra, and faces with five equivalent Sn(1)Zr9 cuboctahedra.
Zr2Sn crystallizes in the hexagonal P-62m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Zr(2) and four equivalent Sn(1) atoms. Both Zr(1)-Zr(2) bond lengths are 3.17 Å. All Zr(1)-Sn(1) bond lengths are 3.08 Å. In the second Zr site, Zr(2) is bonded to six equivalent Zr(1) and six equivalent Sn(1) atoms to form ZrZr6Sn6 cuboctahedra that share corners with twelve equivalent Sn(1)Zr9 cuboctahedra, edges with six equivalent Zr(2)Zr6Sn6 cuboctahedra, edges with six equivalent Sn(1)Zr9 cuboctahedra, and faces with two equivalent Zr(2)Zr6Sn6 cuboctahedra. All Zr(2)-Sn(1) bond lengths are 3.26 Å. Sn(1) is bonded to three equivalent Zr(2) and six equivalent Zr(1) atoms to form distorted SnZr9 cuboctahedra that share corners with six equivalent Zr(2)Zr6Sn6 cuboctahedra, corners with fifteen equivalent Sn(1)Zr9 cuboctahedra, edges with three equivalent Zr(2)Zr6Sn6 cuboctahedra, and faces with five equivalent Sn(1)Zr9 cuboctahedra.