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Zr3Sn crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Zr and four equivalent Sn atoms. Both Zr–Zr bond lengths are 2.83 Å. All Zr–Sn bond lengths are 3.16 Å. Sn is bonded to twelve equivalent Zr atoms to form a mixture of face and edge-sharing SnZr12 cuboctahedra.
Zr5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Zr–Sn bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.93–3.16 Å. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.
Zr5Sn4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Zr–Sn bond lengths are 3.13 Å. In the second Zr site, Zr is bonded to seven Sn atoms to form a mixture of distorted corner, edge, and face-sharing ZrSn7 pentagonal bipyramids. There are a spread of Zr–Sn bond distances ranging from 2.90–3.13 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Zr atoms to form distorted face-sharing SnZr6 octahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Zr atoms.
ZrSn2 is Titanium Disilicide structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Zr is bonded in a 10-coordinate geometry to ten equivalent Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.99–3.30 Å. Sn is bonded in a 10-coordinate geometry to five equivalent Zr and five equivalent Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.00–3.28 Å.
Zr5Sn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to nine Zr and three equivalent Sn atoms to form distorted ZrZr9Sn3 cuboctahedra that share corners with nine equivalent ZrZr9Sn3 cuboctahedra, corners with nine equivalent SnZr12 cuboctahedra, edges with eighteen ZrZr9Sn3 cuboctahedra, faces with three equivalent SnZr12 cuboctahedra, and faces with seventeen ZrZr9Sn3 cuboctahedra. There are six shorter (3.19 Å) and three longer (3.21 Å) Zr–Zr bond lengths. All Zr–Sn bond lengths are 3.21 Å. In the second Zr site, Zr is bonded to ten Zr and two equivalent Sn atoms to form distorted ZrZr10Sn2 cuboctahedra that share corners with eighteen equivalent ZrZr10Sn2 cuboctahedra, edges with four equivalent SnZr12 cuboctahedra, edges with fourteen ZrZr9Sn3 cuboctahedra, faces with four equivalent SnZr12 cuboctahedra, and faces with sixteen ZrZr9Sn3 cuboctahedra. There are two shorter (3.11 Å) and four longer (3.26 Å) Zr–Zr bond lengths. Both Zr–Sn bond lengths are 3.14 Å. Sn is bonded to twelve Zr atoms to form SnZr12 cuboctahedra that share corners with eighteen equivalent ZrZr9Sn3 cuboctahedra, edges with six equivalent SnZr12 cuboctahedra, edges with twelve equivalent ZrZr10Sn2 cuboctahedra, faces with two equivalent SnZr12 cuboctahedra, and faces with eighteen ZrZr9Sn3 cuboctahedra.
ZrSn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a distorted body-centered cubic geometry to fourteen Sn atoms. There are eight shorter (3.21 Å) and six longer (3.71 Å) Zr–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Zr and eight equivalent Sn atoms. All Sn–Sn bond lengths are 3.21 Å. In the second Sn site, Sn is bonded in a distorted body-centered cubic geometry to four equivalent Zr and four equivalent Sn atoms.