NdCoSi3 crystallizes in the tetragonal I4mm space group. Nd(1) is bonded in a 17-coordinate geometry to five equivalent Co(1), four equivalent Si(1), and eight equivalent Si(2) atoms. Co(1) is bonded in a 5-coordinate geometry to five equivalent Nd(1), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Co(1), and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1), two equivalent Co(1), and two equivalent Si(1) atoms.
NdCoSi3 crystallizes in the tetragonal I4mm space group. Nd(1) is bonded in a 17-coordinate geometry to five equivalent Co(1), four equivalent Si(1), and eight equivalent Si(2) atoms. All Nd(1)-Co(1) bond lengths are 3.28 Å. All Nd(1)-Si(1) bond lengths are 3.00 Å. There are four shorter (3.11 Å) and four longer (3.21 Å) Nd(1)-Si(2) bond lengths. Co(1) is bonded in a 5-coordinate geometry to five equivalent Nd(1), one Si(1), and four equivalent Si(2) atoms. The Co(1)-Si(1) bond length is 2.25 Å. All Co(1)-Si(2) bond lengths are 2.27 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Co(1), and four equivalent Si(2) atoms. All Si(1)-Si(2) bond lengths are 2.60 Å. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1), two equivalent Co(1), and two equivalent Si(1) atoms.