Al23Ni6Y4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 15-coordinate geometry to two equivalent Ni(3), one Al(11), one Al(4), one Al(5), one Al(8), one Al(9), two equivalent Al(10), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(7) atoms. In the second Y site, Y(2) is bonded in a 15-coordinate geometry to two equivalent Ni(2), one Al(10), one Al(9), two equivalent Al(1), two equivalent Al(11), two equivalent Al(3), two equivalent Al(5), and three equivalent Al(6) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a 7-coordinate geometry to two equivalent Y(2), one Al(11), one Al(5), two equivalent Al(10), and three equivalent Al(6) atoms. In the second Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Al(2), one Al(4), one Al(5), two equivalent Al(12), two equivalent Al(7), and two equivalent Al(9) atoms. In the third Ni site, Ni(3) is bonded in a 8-coordinate geometry to two equivalent Y(1), one Al(12), one Al(2), one Al(7), two equivalent Al(4), and three equivalent Al(8) atoms. There are twelve inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to four equivalent Y(2), two equivalent Al(3), two equivalent Al(6), and four equivalent Al(11) atoms. In the second Al site, Al(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Y(1), one Ni(1), one Ni(3), one Al(3), two equivalent Al(8), and two equivalent Al(9) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one Al(1), one Al(10), one Al(2), one Al(5), two equivalent Al(11), and two equivalent Al(9) atoms. In the fourth Al site, Al(4) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Ni(1), two equivalent Ni(3), and one Al(8) atom. In the fifth Al site, Al(5) is bonded in a distorted bent 150 degrees geometry to one Y(1), two equivalent Y(2), one Ni(1), one Ni(2), one Al(3), and two equivalent Al(9) atoms. In the sixth Al site, Al(6) is bonded in a 3-coordinate geometry to three equivalent Y(2), three equivalent Ni(2), and one Al(1) atom. In the seventh Al site, Al(7) is bonded in a 3-coordinate geometry to two equivalent Y(1), one Ni(3), two equivalent Ni(1), and one Al(9) atom. In the eighth Al site, Al(8) is bonded in a 10-coordinate geometry to one Y(1), three equivalent Ni(3), one Al(12), one Al(4), two equivalent Al(2), and two equivalent Al(8) atoms. In the ninth Al site, Al(9) is bonded to one Y(1), one Y(2), two equivalent Ni(1), one Al(12), one Al(7), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms to form distorted face-sharing AlY2Al8Ni2 cuboctahedra. In the tenth Al site, Al(10) is bonded in a 2-coordinate geometry to one Y(2), two equivalent Y(1), two equivalent Ni(2), and one Al(3) atom. In the eleventh Al site, Al(11) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Y(2), one Ni(2), two equivalent Al(1), and two equivalent Al(3) atoms. In the twelfth Al site, Al(12) is bonded in a distorted trigonal planar geometry to one Ni(3), two equivalent Ni(1), one Al(8), and one Al(9) atom.
Al23Ni6Y4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 15-coordinate geometry to two equivalent Ni(3), one Al(11), one Al(4), one Al(5), one Al(8), one Al(9), two equivalent Al(10), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(7) atoms. Both Y(1)-Ni(3) bond lengths are 3.23 Å. The Y(1)-Al(11) bond length is 3.15 Å. The Y(1)-Al(4) bond length is 3.21 Å. The Y(1)-Al(5) bond length is 3.34 Å. The Y(1)-Al(8) bond length is 3.07 Å. The Y(1)-Al(9) bond length is 3.20 Å. Both Y(1)-Al(10) bond lengths are 3.03 Å. Both Y(1)-Al(2) bond lengths are 3.09 Å. Both Y(1)-Al(3) bond lengths are 3.12 Å. Both Y(1)-Al(7) bond lengths are 3.04 Å. In the second Y site, Y(2) is bonded in a 15-coordinate geometry to two equivalent Ni(2), one Al(10), one Al(9), two equivalent Al(1), two equivalent Al(11), two equivalent Al(3), two equivalent Al(5), and three equivalent Al(6) atoms. Both Y(2)-Ni(2) bond lengths are 3.21 Å. The Y(2)-Al(10) bond length is 3.29 Å. The Y(2)-Al(9) bond length is 3.17 Å. Both Y(2)-Al(1) bond lengths are 3.13 Å. There is one shorter (3.07 Å) and one longer (3.21 Å) Y(2)-Al(11) bond length. Both Y(2)-Al(3) bond lengths are 3.10 Å. Both Y(2)-Al(5) bond lengths are 3.16 Å. There are two shorter (3.04 Å) and one longer (3.29 Å) Y(2)-Al(6) bond length. There are three inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a 7-coordinate geometry to two equivalent Y(2), one Al(11), one Al(5), two equivalent Al(10), and three equivalent Al(6) atoms. The Ni(2)-Al(11) bond length is 2.33 Å. The Ni(2)-Al(5) bond length is 2.38 Å. Both Ni(2)-Al(10) bond lengths are 2.42 Å. There is one shorter (2.40 Å) and two longer (2.49 Å) Ni(2)-Al(6) bond lengths. In the second Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Al(2), one Al(4), one Al(5), two equivalent Al(12), two equivalent Al(7), and two equivalent Al(9) atoms. The Ni(1)-Al(2) bond length is 2.44 Å. The Ni(1)-Al(4) bond length is 2.38 Å. The Ni(1)-Al(5) bond length is 2.42 Å. Both Ni(1)-Al(12) bond lengths are 2.48 Å. Both Ni(1)-Al(7) bond lengths are 2.51 Å. Both Ni(1)-Al(9) bond lengths are 2.72 Å. In the third Ni site, Ni(3) is bonded in a 8-coordinate geometry to two equivalent Y(1), one Al(12), one Al(2), one Al(7), two equivalent Al(4), and three equivalent Al(8) atoms. The Ni(3)-Al(12) bond length is 2.36 Å. The Ni(3)-Al(2) bond length is 2.44 Å. The Ni(3)-Al(7) bond length is 2.50 Å. Both Ni(3)-Al(4) bond lengths are 2.50 Å. There are two shorter (2.38 Å) and one longer (2.55 Å) Ni(3)-Al(8) bond length. There are twelve inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to four equivalent Y(2), two equivalent Al(3), two equivalent Al(6), and four equivalent Al(11) atoms. Both Al(1)-Al(3) bond lengths are 3.13 Å. Both Al(1)-Al(6) bond lengths are 3.05 Å. All Al(1)-Al(11) bond lengths are 2.87 Å. In the second Al site, Al(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Y(1), one Ni(1), one Ni(3), one Al(3), two equivalent Al(8), and two equivalent Al(9) atoms. The Al(2)-Al(3) bond length is 2.87 Å. Both Al(2)-Al(8) bond lengths are 2.74 Å. Both Al(2)-Al(9) bond lengths are 2.69 Å. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one Al(1), one Al(10), one Al(2), one Al(5), two equivalent Al(11), and two equivalent Al(9) atoms. The Al(3)-Al(10) bond length is 3.16 Å. The Al(3)-Al(5) bond length is 2.99 Å. Both Al(3)-Al(11) bond lengths are 2.86 Å. Both Al(3)-Al(9) bond lengths are 2.94 Å. In the fourth Al site, Al(4) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Ni(1), two equivalent Ni(3), and one Al(8) atom. The Al(4)-Al(8) bond length is 2.64 Å. In the fifth Al site, Al(5) is bonded in a distorted bent 150 degrees geometry to one Y(1), two equivalent Y(2), one Ni(1), one Ni(2), one Al(3), and two equivalent Al(9) atoms. Both Al(5)-Al(9) bond lengths are 2.73 Å. In the sixth Al site, Al(6) is bonded in a 3-coordinate geometry to three equivalent Y(2), three equivalent Ni(2), and one Al(1) atom. In the seventh Al site, Al(7) is bonded in a 3-coordinate geometry to two equivalent Y(1), one Ni(3), two equivalent Ni(1), and one Al(9) atom. The Al(7)-Al(9) bond length is 2.78 Å. In the eighth Al site, Al(8) is bonded in a 10-coordinate geometry to one Y(1), three equivalent Ni(3), one Al(12), one Al(4), two equivalent Al(2), and two equivalent Al(8) atoms. The Al(8)-Al(12) bond length is 2.71 Å. Both Al(8)-Al(8) bond lengths are 2.59 Å. In the ninth Al site, Al(9) is bonded to one Y(1), one Y(2), two equivalent Ni(1), one Al(12), one Al(7), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms to form distorted face-sharing AlY2Al8Ni2 cuboctahedra. The Al(9)-Al(12) bond length is 2.70 Å. In the tenth Al site, Al(10) is bonded in a 2-coordinate geometry to one Y(2), two equivalent Y(1), two equivalent Ni(2), and one Al(3) atom. In the eleventh Al site, Al(11) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Y(2), one Ni(2), two equivalent Al(1), and two equivalent Al(3) atoms. In the twelfth Al site, Al(12) is bonded in a distorted trigonal planar geometry to one Ni(3), two equivalent Ni(1), one Al(8), and one Al(9) atom.