Nd7Co6Al7 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to eight equivalent Al(3) atoms. In the second Nd site, Nd(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), four equivalent Co(2), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. In the third Nd site, Nd(3) is bonded in a 1-coordinate geometry to two equivalent Co(1), two equivalent Co(2), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), one Co(2), two equivalent Al(2), and two equivalent Al(3) atoms. In the second Co site, Co(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(3), one Al(2), and two equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Nd(2) and four equivalent Co(1) atoms to form distorted AlNd4Co4 cuboctahedra that share corners with eight equivalent Al(2)Nd5Al2Co5 cuboctahedra and faces with two equivalent Al(1)Nd4Co4 cuboctahedra. In the second Al site, Al(2) is bonded to one Nd(2), four equivalent Nd(3), one Co(1), four equivalent Co(2), and two equivalent Al(3) atoms to form distorted AlNd5Al2Co5 cuboctahedra that share corners with four equivalent Al(1)Nd4Co4 cuboctahedra and faces with two equivalent Al(2)Nd5Al2Co5 cuboctahedra. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Nd(2), two equivalent Nd(1), four equivalent Nd(3), two equivalent Co(2), and one Al(2) atom.
Nd7Co6Al7 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to eight equivalent Al(3) atoms. All Nd(1)-Al(3) bond lengths are 3.15 Å. In the second Nd site, Nd(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), four equivalent Co(2), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. Both Nd(2)-Co(1) bond lengths are 2.95 Å. All Nd(2)-Co(2) bond lengths are 3.05 Å. The Nd(2)-Al(2) bond length is 3.02 Å. Both Nd(2)-Al(1) bond lengths are 3.32 Å. Both Nd(2)-Al(3) bond lengths are 3.21 Å. In the third Nd site, Nd(3) is bonded in a 1-coordinate geometry to two equivalent Co(1), two equivalent Co(2), two equivalent Al(2), and four equivalent Al(3) atoms. Both Nd(3)-Co(1) bond lengths are 3.12 Å. There is one shorter (2.64 Å) and one longer (3.02 Å) Nd(3)-Co(2) bond length. Both Nd(3)-Al(2) bond lengths are 3.13 Å. There are two shorter (3.33 Å) and two longer (3.36 Å) Nd(3)-Al(3) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), one Co(2), two equivalent Al(2), and two equivalent Al(3) atoms. The Co(2)-Co(2) bond length is 2.43 Å. Both Co(2)-Al(2) bond lengths are 2.68 Å. Both Co(2)-Al(3) bond lengths are 2.49 Å. In the second Co site, Co(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(3), one Al(2), and two equivalent Al(1) atoms. The Co(1)-Al(2) bond length is 2.76 Å. Both Co(1)-Al(1) bond lengths are 2.54 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Nd(2) and four equivalent Co(1) atoms to form distorted AlNd4Co4 cuboctahedra that share corners with eight equivalent Al(2)Nd5Al2Co5 cuboctahedra and faces with two equivalent Al(1)Nd4Co4 cuboctahedra. In the second Al site, Al(2) is bonded to one Nd(2), four equivalent Nd(3), one Co(1), four equivalent Co(2), and two equivalent Al(3) atoms to form distorted AlNd5Al2Co5 cuboctahedra that share corners with four equivalent Al(1)Nd4Co4 cuboctahedra and faces with two equivalent Al(2)Nd5Al2Co5 cuboctahedra. Both Al(2)-Al(3) bond lengths are 2.80 Å. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Nd(2), two equivalent Nd(1), four equivalent Nd(3), two equivalent Co(2), and one Al(2) atom.