Zr5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms.
Zr5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. There are a spread of Zr(1)-Si(1) bond distances ranging from 2.73-2.98 Å. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. All Zr(2)-Si(1) bond lengths are 2.84 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms.