Y2(NiAl)5 crystallizes in the monoclinic Pm space group. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to one Ni(14), one Ni(15), two equivalent Ni(1), two equivalent Ni(3), two equivalent Ni(5), one Al(11), one Al(12), one Al(14), one Al(8), two equivalent Al(1), two equivalent Al(3), and two equivalent Al(5) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to one Ni(13), two equivalent Ni(2), two equivalent Ni(4), two equivalent Ni(6), one Al(10), one Al(13), one Al(15), one Al(7), one Al(9), two equivalent Al(2), two equivalent Al(4), and two equivalent Al(6) atoms. In the third Y site, Y(3) is bonded in a 18-coordinate geometry to one Ni(13), one Ni(15), two equivalent Ni(11), two equivalent Ni(7), two equivalent Ni(9), one Al(10), one Al(12), one Al(14), one Al(8), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms. In the fourth Y site, Y(4) is bonded in a 18-coordinate geometry to one Ni(14), two equivalent Ni(10), two equivalent Ni(12), two equivalent Ni(8), one Al(11), one Al(13), one Al(15), one Al(7), one Al(9), two equivalent Al(1), two equivalent Al(4), and two equivalent Al(6) atoms. In the fifth Y site, Y(5) is bonded in a distorted hexagonal planar geometry to one Ni(1), one Ni(11), one Ni(4), one Ni(6), one Ni(8), one Ni(9), and two equivalent Ni(13) atoms. In the sixth Y site, Y(6) is bonded in a distorted hexagonal planar geometry to one Ni(10), one Ni(12), one Ni(2), one Ni(3), one Ni(5), one Ni(7), two equivalent Ni(14), and two equivalent Ni(15) atoms. There are fifteen inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(1), one Al(3), one Al(5), two equivalent Al(12), and two equivalent Al(8) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(2), one Al(4), one Al(6), two equivalent Al(13), and two equivalent Al(9) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(1), two equivalent Ni(14), one Al(1), one Al(5), and two equivalent Al(14) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(2), two equivalent Ni(13), one Al(2), one Al(6), and two equivalent Al(15) atoms. In the fifth Ni site, Ni(5) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(1), two equivalent Ni(15), one Al(1), one Al(3), and two equivalent Al(11) atoms. In the sixth Ni site, Ni(6) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(2), one Al(2), one Al(4), two equivalent Al(10), and two equivalent Al(7) atoms. In the seventh Ni site, Ni(7) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(3), two equivalent Ni(15), one Al(3), one Al(5), and two equivalent Al(14) atoms. In the eighth Ni site, Ni(8) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(4), one Al(4), one Al(6), two equivalent Al(15), and two equivalent Al(7) atoms. In the ninth Ni site, Ni(9) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(3), two equivalent Ni(13), one Al(2), one Al(3), and two equivalent Al(12) atoms. In the tenth Ni site, Ni(10) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(4), two equivalent Ni(14), one Al(1), one Al(4), and two equivalent Al(13) atoms. In the eleventh Ni site, Ni(11) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(3), one Al(2), one Al(5), two equivalent Al(10), and two equivalent Al(8) atoms. In the twelfth Ni site, Ni(12) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(4), one Al(1), one Al(6), two equivalent Al(11), and two equivalent Al(9) atoms. In the thirteenth Ni site, Ni(13) is bonded in a 12-coordinate geometry to one Y(2), one Y(3), two equivalent Y(5), two equivalent Ni(4), two equivalent Ni(9), one Al(12), one Al(15), and two equivalent Al(2) atoms. In the fourteenth Ni site, Ni(14) is bonded in a 12-coordinate geometry to one Y(1), one Y(4), two equivalent Y(6), two equivalent Ni(10), two equivalent Ni(3), one Al(13), one Al(14), and two equivalent Al(1) atoms. In the fifteenth Ni site, Ni(15) is bonded in a 12-coordinate geometry to one Y(1), one Y(3), two equivalent Y(6), two equivalent Ni(5), two equivalent Ni(7), one Al(11), one Al(14), and two equivalent Al(3) atoms. There are fifteen inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Y(4), one Ni(10), one Ni(12), one Ni(3), one Ni(5), and two equivalent Ni(14) atoms. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent Y(2), two equivalent Y(3), one Ni(11), one Ni(4), one Ni(6), one Ni(9), and two equivalent Ni(13) atoms. In the third Al site, Al(3) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Ni(1), one Ni(5), one Ni(7), one Ni(9), and two equivalent Ni(15) atoms. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to two equivalent Y(2), two equivalent Y(4), one Ni(10), one Ni(2), one Ni(6), and one Ni(8) atom. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Ni(1), one Ni(11), one Ni(3), and one Ni(7) atom. In the sixth Al site, Al(6) is bonded in a 4-coordinate geometry to two equivalent Y(2), two equivalent Y(4), one Ni(12), one Ni(2), one Ni(4), and one Ni(8) atom. In the seventh Al site, Al(7) is bonded in a 4-coordinate geometry to one Y(2), one Y(4), two equivalent Ni(6), and two equivalent Ni(8) atoms. In the eighth Al site, Al(8) is bonded in a 4-coordinate geometry to one Y(1), one Y(3), two equivalent Ni(1), and two equivalent Ni(11) atoms. In the ninth Al site, Al(9) is bonded in a 4-coordinate geometry to one Y(2), one Y(4), two equivalent Ni(12), and two equivalent Ni(2) atoms. In the tenth Al site, Al(10) is bonded in a 4-coordinate geometry to one Y(2), one Y(3), two equivalent Ni(11), and two equivalent Ni(6) atoms. In the eleventh Al site, Al(11) is bonded in a 5-coordinate geometry to one Y(1), one Y(4), one Ni(15), two equivalent Ni(12), and two equivalent Ni(5) atoms. In the twelfth Al site, Al(12) is bonded in a 5-coordinate geometry to one Y(1), one Y(3), one Ni(13), two equivalent Ni(1), and two equivalent Ni(9) atoms. In the thirteenth Al site, Al(13) is bonded in a 5-coordinate geometry to one Y(2), one Y(4), one Ni(14), two equivalent Ni(10), and two equivalent Ni(2) atoms. In the fourteenth Al site, Al(14) is bonded in a 6-coordinate geometry to one Y(1), one Y(3), one Ni(14), one Ni(15), two equivalent Ni(3), and two equivalent Ni(7) atoms. In the fifteenth Al site, Al(15) is bonded in a 5-coordinate geometry to one Y(2), one Y(4), one Ni(13), two equivalent Ni(4), and two equivalent Ni(8) atoms.
Y2(NiAl)5 crystallizes in the monoclinic Pm space group. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to one Ni(14), one Ni(15), two equivalent Ni(1), two equivalent Ni(3), two equivalent Ni(5), one Al(11), one Al(12), one Al(14), one Al(8), two equivalent Al(1), two equivalent Al(3), and two equivalent Al(5) atoms. The Y(1)-Ni(14) bond length is 3.05 Å. The Y(1)-Ni(15) bond length is 3.12 Å. Both Y(1)-Ni(1) bond lengths are 3.10 Å. Both Y(1)-Ni(3) bond lengths are 3.04 Å. Both Y(1)-Ni(5) bond lengths are 3.04 Å. The Y(1)-Al(11) bond length is 3.07 Å. The Y(1)-Al(12) bond length is 3.27 Å. The Y(1)-Al(14) bond length is 3.19 Å. The Y(1)-Al(8) bond length is 3.15 Å. Both Y(1)-Al(1) bond lengths are 3.23 Å. Both Y(1)-Al(3) bond lengths are 3.25 Å. Both Y(1)-Al(5) bond lengths are 3.27 Å. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to one Ni(13), two equivalent Ni(2), two equivalent Ni(4), two equivalent Ni(6), one Al(10), one Al(13), one Al(15), one Al(7), one Al(9), two equivalent Al(2), two equivalent Al(4), and two equivalent Al(6) atoms. The Y(2)-Ni(13) bond length is 3.07 Å. Both Y(2)-Ni(2) bond lengths are 3.14 Å. Both Y(2)-Ni(4) bond lengths are 3.03 Å. Both Y(2)-Ni(6) bond lengths are 3.10 Å. The Y(2)-Al(10) bond length is 3.12 Å. The Y(2)-Al(13) bond length is 3.29 Å. The Y(2)-Al(15) bond length is 3.08 Å. The Y(2)-Al(7) bond length is 3.15 Å. The Y(2)-Al(9) bond length is 3.15 Å. Both Y(2)-Al(2) bond lengths are 3.24 Å. Both Y(2)-Al(4) bond lengths are 3.26 Å. Both Y(2)-Al(6) bond lengths are 3.28 Å. In the third Y site, Y(3) is bonded in a 18-coordinate geometry to one Ni(13), one Ni(15), two equivalent Ni(11), two equivalent Ni(7), two equivalent Ni(9), one Al(10), one Al(12), one Al(14), one Al(8), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms. The Y(3)-Ni(13) bond length is 3.10 Å. The Y(3)-Ni(15) bond length is 3.06 Å. Both Y(3)-Ni(11) bond lengths are 3.12 Å. Both Y(3)-Ni(7) bond lengths are 3.03 Å. Both Y(3)-Ni(9) bond lengths are 3.01 Å. The Y(3)-Al(10) bond length is 3.16 Å. The Y(3)-Al(12) bond length is 3.06 Å. The Y(3)-Al(14) bond length is 3.18 Å. The Y(3)-Al(8) bond length is 3.17 Å. Both Y(3)-Al(2) bond lengths are 3.28 Å. Both Y(3)-Al(3) bond lengths are 3.25 Å. Both Y(3)-Al(5) bond lengths are 3.27 Å. In the fourth Y site, Y(4) is bonded in a 18-coordinate geometry to one Ni(14), two equivalent Ni(10), two equivalent Ni(12), two equivalent Ni(8), one Al(11), one Al(13), one Al(15), one Al(7), one Al(9), two equivalent Al(1), two equivalent Al(4), and two equivalent Al(6) atoms. The Y(4)-Ni(14) bond length is 3.07 Å. Both Y(4)-Ni(10) bond lengths are 3.04 Å. Both Y(4)-Ni(12) bond lengths are 3.10 Å. Both Y(4)-Ni(8) bond lengths are 3.13 Å. The Y(4)-Al(11) bond length is 3.23 Å. The Y(4)-Al(13) bond length is 3.09 Å. The Y(4)-Al(15) bond length is 3.29 Å. The Y(4)-Al(7) bond length is 3.17 Å. The Y(4)-Al(9) bond length is 3.14 Å. Both Y(4)-Al(1) bond lengths are 3.21 Å. Both Y(4)-Al(4) bond lengths are 3.29 Å. Both Y(4)-Al(6) bond lengths are 3.26 Å. In the fifth Y site, Y(5) is bonded in a distorted hexagonal planar geometry to one Ni(1), one Ni(11), one Ni(4), one Ni(6), one Ni(8), one Ni(9), and two equivalent Ni(13) atoms. The Y(5)-Ni(1) bond length is 2.79 Å. The Y(5)-Ni(11) bond length is 2.86 Å. The Y(5)-Ni(4) bond length is 2.74 Å. The Y(5)-Ni(6) bond length is 2.86 Å. The Y(5)-Ni(8) bond length is 2.80 Å. The Y(5)-Ni(9) bond length is 2.77 Å. Both Y(5)-Ni(13) bond lengths are 3.28 Å. In the sixth Y site, Y(6) is bonded in a distorted hexagonal planar geometry to one Ni(10), one Ni(12), one Ni(2), one Ni(3), one Ni(5), one Ni(7), two equivalent Ni(14), and two equivalent Ni(15) atoms. The Y(6)-Ni(10) bond length is 2.80 Å. The Y(6)-Ni(12) bond length is 2.83 Å. The Y(6)-Ni(2) bond length is 2.82 Å. The Y(6)-Ni(3) bond length is 2.75 Å. The Y(6)-Ni(5) bond length is 2.81 Å. The Y(6)-Ni(7) bond length is 2.74 Å. Both Y(6)-Ni(14) bond lengths are 3.30 Å. Both Y(6)-Ni(15) bond lengths are 3.28 Å. There are fifteen inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(1), one Al(3), one Al(5), two equivalent Al(12), and two equivalent Al(8) atoms. The Ni(1)-Al(3) bond length is 2.46 Å. The Ni(1)-Al(5) bond length is 2.45 Å. Both Ni(1)-Al(12) bond lengths are 2.49 Å. Both Ni(1)-Al(8) bond lengths are 2.48 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(2), one Al(4), one Al(6), two equivalent Al(13), and two equivalent Al(9) atoms. The Ni(2)-Al(4) bond length is 2.45 Å. The Ni(2)-Al(6) bond length is 2.47 Å. Both Ni(2)-Al(13) bond lengths are 2.49 Å. Both Ni(2)-Al(9) bond lengths are 2.46 Å. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(1), two equivalent Ni(14), one Al(1), one Al(5), and two equivalent Al(14) atoms. Both Ni(3)-Ni(14) bond lengths are 2.48 Å. The Ni(3)-Al(1) bond length is 2.41 Å. The Ni(3)-Al(5) bond length is 2.41 Å. Both Ni(3)-Al(14) bond lengths are 2.44 Å. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(2), two equivalent Ni(13), one Al(2), one Al(6), and two equivalent Al(15) atoms. Both Ni(4)-Ni(13) bond lengths are 2.50 Å. The Ni(4)-Al(2) bond length is 2.41 Å. The Ni(4)-Al(6) bond length is 2.44 Å. Both Ni(4)-Al(15) bond lengths are 2.41 Å. In the fifth Ni site, Ni(5) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(1), two equivalent Ni(15), one Al(1), one Al(3), and two equivalent Al(11) atoms. Both Ni(5)-Ni(15) bond lengths are 2.50 Å. The Ni(5)-Al(1) bond length is 2.47 Å. The Ni(5)-Al(3) bond length is 2.38 Å. Both Ni(5)-Al(11) bond lengths are 2.39 Å. In the sixth Ni site, Ni(6) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(2), one Al(2), one Al(4), two equivalent Al(10), and two equivalent Al(7) atoms. The Ni(6)-Al(2) bond length is 2.49 Å. The Ni(6)-Al(4) bond length is 2.46 Å. Both Ni(6)-Al(10) bond lengths are 2.45 Å. Both Ni(6)-Al(7) bond lengths are 2.48 Å. In the seventh Ni site, Ni(7) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(3), two equivalent Ni(15), one Al(3), one Al(5), and two equivalent Al(14) atoms. Both Ni(7)-Ni(15) bond lengths are 2.48 Å. The Ni(7)-Al(3) bond length is 2.41 Å. The Ni(7)-Al(5) bond length is 2.42 Å. Both Ni(7)-Al(14) bond lengths are 2.45 Å. In the eighth Ni site, Ni(8) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(4), one Al(4), one Al(6), two equivalent Al(15), and two equivalent Al(7) atoms. The Ni(8)-Al(4) bond length is 2.46 Å. The Ni(8)-Al(6) bond length is 2.44 Å. Both Ni(8)-Al(15) bond lengths are 2.50 Å. Both Ni(8)-Al(7) bond lengths are 2.46 Å. In the ninth Ni site, Ni(9) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(3), two equivalent Ni(13), one Al(2), one Al(3), and two equivalent Al(12) atoms. Both Ni(9)-Ni(13) bond lengths are 2.51 Å. The Ni(9)-Al(2) bond length is 2.40 Å. The Ni(9)-Al(3) bond length is 2.46 Å. Both Ni(9)-Al(12) bond lengths are 2.41 Å. In the tenth Ni site, Ni(10) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(4), two equivalent Ni(14), one Al(1), one Al(4), and two equivalent Al(13) atoms. Both Ni(10)-Ni(14) bond lengths are 2.49 Å. The Ni(10)-Al(1) bond length is 2.39 Å. The Ni(10)-Al(4) bond length is 2.45 Å. Both Ni(10)-Al(13) bond lengths are 2.40 Å. In the eleventh Ni site, Ni(11) is bonded in a 9-coordinate geometry to one Y(5), two equivalent Y(3), one Al(2), one Al(5), two equivalent Al(10), and two equivalent Al(8) atoms. The Ni(11)-Al(2) bond length is 2.49 Å. The Ni(11)-Al(5) bond length is 2.44 Å. Both Ni(11)-Al(10) bond lengths are 2.45 Å. Both Ni(11)-Al(8) bond lengths are 2.48 Å. In the twelfth Ni site, Ni(12) is bonded in a 9-coordinate geometry to one Y(6), two equivalent Y(4), one Al(1), one Al(6), two equivalent Al(11), and two equivalent Al(9) atoms. The Ni(12)-Al(1) bond length is 2.47 Å. The Ni(12)-Al(6) bond length is 2.47 Å. Both Ni(12)-Al(11) bond lengths are 2.48 Å. Both Ni(12)-Al(9) bond lengths are 2.47 Å. In the thirteenth Ni site, Ni(13) is bonded in a 12-coordinate geometry to one Y(2), one Y(3), two equivalent Y(5), two equivalent Ni(4), two equivalent Ni(9), one Al(12), one Al(15), and two equivalent Al(2) atoms. The Ni(13)-Al(12) bond length is 2.54 Å. The Ni(13)-Al(15) bond length is 2.56 Å. Both Ni(13)-Al(2) bond lengths are 2.63 Å. In the fourteenth Ni site, Ni(14) is bonded in a 12-coordinate geometry to one Y(1), one Y(4), two equivalent Y(6), two equivalent Ni(10), two equivalent Ni(3), one Al(13), one Al(14), and two equivalent Al(1) atoms. The Ni(14)-Al(13) bond length is 2.54 Å. The Ni(14)-Al(14) bond length is 2.56 Å. Both Ni(14)-Al(1) bond lengths are 2.64 Å. In the fifteenth Ni site, Ni(15) is bonded in a 12-coordinate geometry to one Y(1), one Y(3), two equivalent Y(6), two equivalent Ni(5), two equivalent Ni(7), one Al(11), one Al(14), and two equivalent Al(3) atoms. The Ni(15)-Al(11) bond length is 2.51 Å. The Ni(15)-Al(14) bond length is 2.56 Å. Both Ni(15)-Al(3) bond lengths are 2.64 Å. There are fifteen inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Y(4), one Ni(10), one Ni(12), one Ni(3), one Ni(5), and two equivalent Ni(14) atoms. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent Y(2), two equivalent Y(3), one Ni(11), one Ni(4), one Ni(6), one Ni(9), and two equivalent Ni(13) atoms. In the third Al site, Al(3) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Ni(1), one Ni(5), one Ni(7), one Ni(9), and two equivalent Ni(15) atoms. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to two equivalent Y(2), two equivalent Y(4), one Ni(10), one Ni(2), one Ni(6), and one Ni(8) atom. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Ni(1), one Ni(11), one Ni(3), and one Ni(7) atom. In the sixth Al site, Al(6) is bonded in a 4-coordinate geometry to two equivalent Y(2), two equivalent Y(4), one Ni(12), one Ni(2), one Ni(4), and one Ni(8) atom. In the seventh Al site, Al(7) is bonded in a 4-coordinate geometry to one Y(2), one Y(4), two equivalent Ni(6), and two equivalent Ni(8) atoms. In the eighth Al site, Al(8) is bonded in a 4-coordinate geometry to one Y(1), one Y(3), two equivalent Ni(1), and two equivalent Ni(11) atoms. In the ninth Al site, Al(9) is bonded in a 4-coordinate geometry to one Y(2), one Y(4), two equivalent Ni(12), and two equivalent Ni(2) atoms. In the tenth Al site, Al(10) is bonded in a 4-coordinate geometry to one Y(2), one Y(3), two equivalent Ni(11), and two equivalent Ni(6) atoms. In the eleventh Al site, Al(11) is bonded in a 5-coordinate geometry to one Y(1), one Y(4), one Ni(15), two equivalent Ni(12), and two equivalent Ni(5) atoms. In the twelfth Al site, Al(12) is bonded in a 5-coordinate geometry to one Y(1), one Y(3), one Ni(13), two equivalent Ni(1), and two equivalent Ni(9) atoms. In the thirteenth Al site, Al(13) is bonded in a 5-coordinate geometry to one Y(2), one Y(4), one Ni(14), two equivalent Ni(10), and two equivalent Ni(2) atoms. In the fourteenth Al site, Al(14) is bonded in a 6-coordinate geometry to one Y(1), one Y(3), one Ni(14), one Ni(15), two equivalent Ni(3), and two equivalent Ni(7) atoms. In the fifteenth Al site, Al(15) is bonded in a 5-coordinate geometry to one Y(2), one Y(4), one Ni(13), two equivalent Ni(4), and two equivalent Ni(8) atoms.