NdCoSi2 crystallizes in the orthorhombic Cmcm space group. Nd(1) is bonded in a 14-coordinate geometry to four equivalent Co(1), four equivalent Si(1), and six equivalent Si(2) atoms. Co(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Si(2), and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Co(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Nd(1), one Co(1), and two equivalent Si(2) atoms.
NdCoSi2 crystallizes in the orthorhombic Cmcm space group. Nd(1) is bonded in a 14-coordinate geometry to four equivalent Co(1), four equivalent Si(1), and six equivalent Si(2) atoms. All Nd(1)-Co(1) bond lengths are 3.14 Å. There are two shorter (3.08 Å) and two longer (3.12 Å) Nd(1)-Si(1) bond lengths. There are four shorter (3.08 Å) and two longer (3.23 Å) Nd(1)-Si(2) bond lengths. Co(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Si(2), and four equivalent Si(1) atoms. The Co(1)-Si(2) bond length is 2.25 Å. There are two shorter (2.31 Å) and two longer (2.36 Å) Co(1)-Si(1) bond lengths. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Co(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Nd(1), one Co(1), and two equivalent Si(2) atoms. Both Si(2)-Si(2) bond lengths are 2.48 Å.