Ni20(B2Sn)3 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted bent 150 degrees geometry to two equivalent B(1) and one Sn(2) atom. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to three equivalent B(1) and one Sn(1) atom. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(2) atoms. In the second Sn site, Sn(2) is bonded in a cuboctahedral geometry to twelve equivalent Ni(1) atoms.
Ni20(B2Sn)3 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted bent 150 degrees geometry to two equivalent B(1) and one Sn(2) atom. Both Ni(1)-B(1) bond lengths are 2.14 Å. The Ni(1)-Sn(2) bond length is 2.58 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to three equivalent B(1) and one Sn(1) atom. All Ni(2)-B(1) bond lengths are 2.09 Å. The Ni(2)-Sn(1) bond length is 2.51 Å. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(2) atoms. In the second Sn site, Sn(2) is bonded in a cuboctahedral geometry to twelve equivalent Ni(1) atoms.