Nd5Ni6In11 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 13-coordinate geometry to one Ni(2), two equivalent Ni(1), one In(4), one In(5), two equivalent In(2), two equivalent In(3), and four equivalent In(1) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to eight equivalent Ni(2), two equivalent In(3), four equivalent In(1), and four equivalent In(4) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), one Ni(1), one In(3), two equivalent In(2), and two equivalent In(5) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), one Ni(2), one In(4), two equivalent In(1), and two equivalent In(3) atoms. There are five inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to one Nd(2), four equivalent Nd(1), two equivalent Ni(2), one In(1), one In(2), one In(3), and two equivalent In(4) atoms. In the second In site, In(2) is bonded in a 12-coordinate geometry to four equivalent Nd(1), two equivalent Ni(1), two equivalent In(1), two equivalent In(4), and two equivalent In(5) atoms. In the third In site, In(3) is bonded to one Nd(2), four equivalent Nd(1), one Ni(1), four equivalent Ni(2), and two equivalent In(1) atoms to form a mixture of distorted face and corner-sharing InNd5In2Ni5 cuboctahedra. In the fourth In site, In(4) is bonded in a distorted water-like geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Ni(2), two equivalent In(2), and four equivalent In(1) atoms. In the fifth In site, In(5) is bonded in a 8-coordinate geometry to four equivalent Nd(1), four equivalent Ni(1), and four equivalent In(2) atoms.
Nd5Ni6In11 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 13-coordinate geometry to one Ni(2), two equivalent Ni(1), one In(4), one In(5), two equivalent In(2), two equivalent In(3), and four equivalent In(1) atoms. The Nd(1)-Ni(2) bond length is 2.88 Å. Both Nd(1)-Ni(1) bond lengths are 3.20 Å. The Nd(1)-In(4) bond length is 3.54 Å. The Nd(1)-In(5) bond length is 3.24 Å. Both Nd(1)-In(2) bond lengths are 3.38 Å. Both Nd(1)-In(3) bond lengths are 3.33 Å. There are two shorter (3.35 Å) and two longer (3.43 Å) Nd(1)-In(1) bond lengths. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to eight equivalent Ni(2), two equivalent In(3), four equivalent In(1), and four equivalent In(4) atoms. All Nd(2)-Ni(2) bond lengths are 3.23 Å. Both Nd(2)-In(3) bond lengths are 3.29 Å. All Nd(2)-In(1) bond lengths are 3.64 Å. All Nd(2)-In(4) bond lengths are 3.63 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), one Ni(1), one In(3), two equivalent In(2), and two equivalent In(5) atoms. The Ni(1)-Ni(1) bond length is 2.75 Å. The Ni(1)-In(3) bond length is 2.65 Å. Both Ni(1)-In(2) bond lengths are 2.73 Å. Both Ni(1)-In(5) bond lengths are 2.60 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), one Ni(2), one In(4), two equivalent In(1), and two equivalent In(3) atoms. The Ni(2)-Ni(2) bond length is 2.44 Å. The Ni(2)-In(4) bond length is 2.61 Å. Both Ni(2)-In(1) bond lengths are 2.75 Å. Both Ni(2)-In(3) bond lengths are 2.83 Å. There are five inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to one Nd(2), four equivalent Nd(1), two equivalent Ni(2), one In(1), one In(2), one In(3), and two equivalent In(4) atoms. The In(1)-In(1) bond length is 3.22 Å. The In(1)-In(2) bond length is 3.15 Å. The In(1)-In(3) bond length is 3.01 Å. Both In(1)-In(4) bond lengths are 3.18 Å. In the second In site, In(2) is bonded in a 12-coordinate geometry to four equivalent Nd(1), two equivalent Ni(1), two equivalent In(1), two equivalent In(4), and two equivalent In(5) atoms. Both In(2)-In(4) bond lengths are 3.05 Å. Both In(2)-In(5) bond lengths are 3.23 Å. In the third In site, In(3) is bonded to one Nd(2), four equivalent Nd(1), one Ni(1), four equivalent Ni(2), and two equivalent In(1) atoms to form a mixture of distorted face and corner-sharing InNd5In2Ni5 cuboctahedra. In the fourth In site, In(4) is bonded in a distorted water-like geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Ni(2), two equivalent In(2), and four equivalent In(1) atoms. In the fifth In site, In(5) is bonded in a 8-coordinate geometry to four equivalent Nd(1), four equivalent Ni(1), and four equivalent In(2) atoms.