Zr3(Sn2Sb)2 is Titanium Disilicide-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to one Sn(1), one Sn(3), four equivalent Sn(2), and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 10-coordinate geometry to two equivalent Sn(2), three equivalent Sn(1), three equivalent Sn(3), and two equivalent Sb(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), two equivalent Sn(2), and three equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Zr(2), four equivalent Zr(1), one Sn(1), and four equivalent Sb(1) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), three equivalent Sn(1), and two equivalent Sb(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to one Zr(2), four equivalent Zr(1), one Sn(3), and four equivalent Sn(2) atoms.
Zr3(Sn2Sb)2 is Titanium Disilicide-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to one Sn(1), one Sn(3), four equivalent Sn(2), and four equivalent Sb(1) atoms. The Zr(1)-Sn(1) bond length is 3.04 Å. The Zr(1)-Sn(3) bond length is 3.03 Å. There are a spread of Zr(1)-Sn(2) bond distances ranging from 3.01-3.22 Å. There are a spread of Zr(1)-Sb(1) bond distances ranging from 2.99-3.23 Å. In the second Zr site, Zr(2) is bonded in a 10-coordinate geometry to two equivalent Sn(2), three equivalent Sn(1), three equivalent Sn(3), and two equivalent Sb(1) atoms. Both Zr(2)-Sn(2) bond lengths are 3.01 Å. There is one shorter (3.18 Å) and two longer (3.22 Å) Zr(2)-Sn(1) bond lengths. There is one shorter (3.19 Å) and two longer (3.22 Å) Zr(2)-Sn(3) bond lengths. Both Zr(2)-Sb(1) bond lengths are 3.00 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), two equivalent Sn(2), and three equivalent Sn(3) atoms. Both Sn(1)-Sn(2) bond lengths are 2.98 Å. There are two shorter (3.19 Å) and one longer (3.25 Å) Sn(1)-Sn(3) bond length. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Zr(2), four equivalent Zr(1), one Sn(1), and four equivalent Sb(1) atoms. There is one shorter (3.04 Å) and three longer (3.21 Å) Sn(2)-Sb(1) bond lengths. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), three equivalent Sn(1), and two equivalent Sb(1) atoms. Both Sn(3)-Sb(1) bond lengths are 3.03 Å. Sb(1) is bonded in a 10-coordinate geometry to one Zr(2), four equivalent Zr(1), one Sn(3), and four equivalent Sn(2) atoms.