Nd3Co6Sn5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to four equivalent Co(2) and eight equivalent Sn(1) atoms. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Co(1), four equivalent Co(2), two equivalent Sn(2), and six equivalent Sn(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to two equivalent Nd(2), four equivalent Co(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to one Nd(1), two equivalent Nd(2), one Co(2), two equivalent Co(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1), three equivalent Nd(2), one Co(1), three equivalent Co(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded to four equivalent Nd(2), four equivalent Co(1), and four equivalent Co(2) atoms to form face-sharing SnNd4Co8 cuboctahedra.
Nd3Co6Sn5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to four equivalent Co(2) and eight equivalent Sn(1) atoms. All Nd(1)-Co(2) bond lengths are 3.01 Å. All Nd(1)-Sn(1) bond lengths are 3.48 Å. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Co(1), four equivalent Co(2), two equivalent Sn(2), and six equivalent Sn(1) atoms. Both Nd(2)-Co(1) bond lengths are 3.03 Å. All Nd(2)-Co(2) bond lengths are 3.25 Å. Both Nd(2)-Sn(2) bond lengths are 3.17 Å. There are four shorter (3.23 Å) and two longer (3.33 Å) Nd(2)-Sn(1) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to two equivalent Nd(2), four equivalent Co(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. All Co(1)-Co(2) bond lengths are 2.57 Å. Both Co(1)-Sn(1) bond lengths are 2.59 Å. Both Co(1)-Sn(2) bond lengths are 2.94 Å. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to one Nd(1), two equivalent Nd(2), one Co(2), two equivalent Co(1), one Sn(2), and three equivalent Sn(1) atoms. The Co(2)-Co(2) bond length is 2.67 Å. The Co(2)-Sn(2) bond length is 2.59 Å. There are two shorter (2.59 Å) and one longer (2.80 Å) Co(2)-Sn(1) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1), three equivalent Nd(2), one Co(1), three equivalent Co(2), and one Sn(1) atom. The Sn(1)-Sn(1) bond length is 3.18 Å. In the second Sn site, Sn(2) is bonded to four equivalent Nd(2), four equivalent Co(1), and four equivalent Co(2) atoms to form face-sharing SnNd4Co8 cuboctahedra.