Nd5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1) and five equivalent Nd(2) atoms.
Nd5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. All Nd(1)-Si(1) bond lengths are 3.18 Å. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. There are a spread of Nd(2)-Si(1) bond distances ranging from 3.02-3.59 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1) and five equivalent Nd(2) atoms.