Co3Sn2 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 11-coordinate geometry to two equivalent Co(1), three equivalent Co(2), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the second Co site, Co(2) is bonded to six equivalent Co(1), two equivalent Sn(1), and three equivalent Sn(2) atoms to form a mixture of distorted face and corner-sharing CoCo6Sn5 trigonal bipyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to two equivalent Co(2) and six equivalent Co(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(1) atoms.
Co3Sn2 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 11-coordinate geometry to two equivalent Co(1), three equivalent Co(2), three equivalent Sn(1), and three equivalent Sn(2) atoms. There is one shorter (2.50 Å) and one longer (2.57 Å) Co(1)-Co(1) bond length. All Co(1)-Co(2) bond lengths are 2.76 Å. All Co(1)-Sn(1) bond lengths are 2.74 Å. All Co(1)-Sn(2) bond lengths are 2.76 Å. In the second Co site, Co(2) is bonded to six equivalent Co(1), two equivalent Sn(1), and three equivalent Sn(2) atoms to form a mixture of distorted face and corner-sharing CoCo6Sn5 trigonal bipyramids. Both Co(2)-Sn(1) bond lengths are 2.53 Å. All Co(2)-Sn(2) bond lengths are 2.44 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to two equivalent Co(2) and six equivalent Co(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(1) atoms.