YZr2Ni15 crystallizes in the trigonal P3m1 space group. Y(1) is bonded in a 16-coordinate geometry to one Ni(7), three equivalent Ni(1), three equivalent Ni(4), three equivalent Ni(9), and six equivalent Ni(2) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Ni(8), three equivalent Ni(2), three equivalent Ni(5), three equivalent Ni(7), and six equivalent Ni(3) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Ni(9), three equivalent Ni(3), three equivalent Ni(6), three equivalent Ni(8), and six equivalent Ni(1) atoms. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Y(1), two equivalent Zr(2), one Ni(4), one Ni(6), one Ni(8), two equivalent Ni(9), and four equivalent Ni(1) atoms to form distorted NiYZr2Ni9 cuboctahedra that share corners with two equivalent Ni(4)Y3Ni9 cuboctahedra, corners with two equivalent Ni(6)Zr3Ni9 cuboctahedra, corners with four equivalent Ni(1)YZr2Ni9 cuboctahedra, corners with five equivalent Ni(2)Y2ZrNi9 cuboctahedra, corners with five equivalent Ni(3)Zr3Ni9 cuboctahedra, edges with two equivalent Ni(2)Y2ZrNi9 cuboctahedra, edges with two equivalent Ni(1)YZr2Ni9 cuboctahedra, edges with two equivalent Ni(3)Zr3Ni9 cuboctahedra, faces with two equivalent Ni(2)Y2ZrNi9 cuboctahedra, faces with two equivalent Ni(3)Zr3Ni9 cuboctahedra, faces with three equivalent Ni(4)Y3Ni9 cuboctahedra, faces with three equivalent Ni(6)Zr3Ni9 cuboctahedra, faces with eight equivalent Ni(1)YZr2Ni9 cuboctahedra, and faces with four equivalent Ni(9)Y3ZrNi12 tetrahedra. In the second Ni site, Ni(2) is bonded to two equivalent Y(1), one Zr(1), one Ni(4), one Ni(5), one Ni(9), two equivalent Ni(7), and four equivalent Ni(2) atoms to form distorted NiY2ZrNi9 cuboctahedra that share corners with two equivalent Ni(4)Y3Ni9 cuboctahedra, corners with two equivalent Ni(5)Zr3Ni9 cuboctahedra, corners with four equivalent Ni(2)Y2ZrNi9 cuboctahedra, corners with five equivalent Ni(1)YZr2Ni9 cuboctahedra, corners with five equivalent Ni(3)Zr3Ni9 cuboctahedra, corners with two equivalent Ni(9)Y3ZrNi12 tetrahedra, edges with two equivalent Ni(2)Y2ZrNi9 cuboctahedra, edges with two equivalent Ni(1)YZr2Ni9 cuboctahedra, edges with two equivalent Ni(3)Zr3Ni9 cuboctahedra, faces with two equivalent Ni(1)YZr2Ni9 cuboctahedra, faces with two equivalent Ni(3)Zr3Ni9 cuboctahedra, faces with three equivalent Ni(4)Y3Ni9 cuboctahedra, faces with three equivalent Ni(5)Zr3Ni9 cuboctahedra, faces with eight equivalent Ni(2)Y2ZrNi9 cuboctahedra, and faces with three equivalent Ni(9)Y3ZrNi12 tetrahedra. In the third Ni site, Ni(3) is bonded to one Zr(2), two equivalent Zr(1), one Ni(5), one Ni(6), one Ni(7), two equivalent Ni(8), and four equivalent Ni(3) atoms to form distorted NiZr3Ni9 cuboctahedra that share corners with two equivalent Ni(5)Zr3Ni9 cuboctahedra, corners with two equivalent Ni(6)Zr3Ni9 cuboctahedra, corners with four equivalent Ni(3)Zr3Ni9 cuboctahedra, corners with five equivalent Ni(2)Y2ZrNi9 cuboctahedra, corners with five equivalent Ni(1)YZr2Ni9 cuboctahedra,  a cornercorner with one Ni(9)Y3ZrNi12 tetrahedra, edges with two equivalent Ni(2)Y2ZrNi9 cuboctahedra, edges with two equivalent Ni(1)YZr2Ni9 cuboctahedra, edges with two equivalent Ni(3)Zr3Ni9 cuboctahedra, faces with two equivalent Ni(2)Y2ZrNi9 cuboctahedra, faces with two equivalent Ni(1)YZr2Ni9 cuboctahedra, faces with three equivalent Ni(5)Zr3Ni9 cuboctahedra, faces with three equivalent Ni(6)Zr3Ni9 cuboctahedra, and faces with eight equivalent Ni(3)Zr3Ni9 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to three equivalent Y(1), three equivalent Ni(1), three equivalent Ni(2), and three equivalent Ni(9) atoms to form distorted NiY3Ni9 cuboctahedra that share corners with three equivalent Ni(5)Zr3Ni9 cuboctahedra, corners with three equivalent Ni(6)Zr3Ni9 cuboctahedra, corners with six equivalent Ni(2)Y2ZrNi9 cuboctahedra, corners with six equivalent Ni(1)YZr2Ni9 cuboctahedra, corners with three equivalent Ni(9)Y3ZrNi12 tetrahedra, edges with six equivalent Ni(4)Y3Ni9 cuboctahedra, faces with nine equivalent Ni(2)Y2ZrNi9 cuboctahedra, faces with nine equivalent Ni(1)YZr2Ni9 cuboctahedra, and faces with three equivalent Ni(9)Y3ZrNi12 tetrahedra. In the fifth Ni site, Ni(5) is bonded to three equivalent Zr(1), three equivalent Ni(2), three equivalent Ni(3), and three equivalent Ni(7) atoms to form distorted NiZr3Ni9 cuboctahedra that share corners with three equivalent Ni(4)Y3Ni9 cuboctahedra, corners with three equivalent Ni(6)Zr3Ni9 cuboctahedra, corners with six equivalent Ni(2)Y2ZrNi9 cuboctahedra, corners with six equivalent Ni(3)Zr3Ni9 cuboctahedra, edges with six equivalent Ni(5)Zr3Ni9 cuboctahedra, faces with nine equivalent Ni(2)Y2ZrNi9 cuboctahedra, faces with nine equivalent Ni(3)Zr3Ni9 cuboctahedra, and  a faceface with one Ni(9)Y3ZrNi12 tetrahedra. In the sixth Ni site, Ni(6) is bonded to three equivalent Zr(2), three equivalent Ni(1), three equivalent Ni(3), and three equivalent Ni(8) atoms to form distorted NiZr3Ni9 cuboctahedra that share corners with three equivalent Ni(4)Y3Ni9 cuboctahedra, corners with three equivalent Ni(5)Zr3Ni9 cuboctahedra, corners with six equivalent Ni(1)YZr2Ni9 cuboctahedra, corners with six equivalent Ni(3)Zr3Ni9 cuboctahedra, edges with six equivalent Ni(6)Zr3Ni9 cuboctahedra, faces with nine equivalent Ni(1)YZr2Ni9 cuboctahedra, faces with nine equivalent Ni(3)Zr3Ni9 cuboctahedra, and faces with three equivalent Ni(9)Y3ZrNi12 tetrahedra. In the seventh Ni site, Ni(7) is bonded in a 16-coordinate geometry to one Y(1), three equivalent Zr(1), three equivalent Ni(3), three equivalent Ni(5), and six equivalent Ni(2) atoms. In the eighth Ni site, Ni(8) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), three equivalent Ni(1), three equivalent Ni(6), and six equivalent Ni(3) atoms. In the ninth Ni site, Ni(9) is bonded to three equivalent Y(1), one Zr(2), three equivalent Ni(2), three equivalent Ni(4), and six equivalent Ni(1) atoms to form distorted NiY3ZrNi12 tetrahedra that share corners with three equivalent Ni(4)Y3Ni9 cuboctahedra, corners with three equivalent Ni(3)Zr3Ni9 cuboctahedra, corners with six equivalent Ni(2)Y2ZrNi9 cuboctahedra,  a faceface with one Ni(5)Zr3Ni9 cuboctahedra, faces with three equivalent Ni(4)Y3Ni9 cuboctahedra, faces with three equivalent Ni(6)Zr3Ni9 cuboctahedra, faces with nine equivalent Ni(2)Y2ZrNi9 cuboctahedra, faces with twelve equivalent Ni(1)YZr2Ni9 cuboctahedra, and faces with six equivalent Ni(9)Y3ZrNi12 tetrahedra.
YZr2Ni15 crystallizes in the trigonal P3m1 space group. Y(1) is bonded in a 16-coordinate geometry to one Ni(7), three equivalent Ni(1), three equivalent Ni(4), three equivalent Ni(9), and six equivalent Ni(2) atoms. The Y(1)-Ni(7) bond length is 2.99 Å. All Y(1)-Ni(1) bond lengths are 2.84 Å. All Y(1)-Ni(4) bond lengths are 2.80 Å. All Y(1)-Ni(9) bond lengths are 2.95 Å. All Y(1)-Ni(2) bond lengths are 2.83 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Ni(8), three equivalent Ni(2), three equivalent Ni(5), three equivalent Ni(7), and six equivalent Ni(3) atoms. The Zr(1)-Ni(8) bond length is 2.90 Å. All Zr(1)-Ni(2) bond lengths are 2.78 Å. All Zr(1)-Ni(5) bond lengths are 2.80 Å. All Zr(1)-Ni(7) bond lengths are 2.91 Å. All Zr(1)-Ni(3) bond lengths are 2.79 Å. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Ni(9), three equivalent Ni(3), three equivalent Ni(6), three equivalent Ni(8), and six equivalent Ni(1) atoms. The Zr(2)-Ni(9) bond length is 2.87 Å. All Zr(2)-Ni(3) bond lengths are 2.79 Å. All Zr(2)-Ni(6) bond lengths are 2.80 Å. All Zr(2)-Ni(8) bond lengths are 2.92 Å. All Zr(2)-Ni(1) bond lengths are 2.79 Å. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Y(1), two equivalent Zr(2), one Ni(4), one Ni(6), one Ni(8), two equivalent Ni(9), and four equivalent Ni(1) atoms to form distorted NiYZr2Ni9 cuboctahedra that share corners with two equivalent Ni(4)Y3Ni9 cuboctahedra, corners with two equivalent Ni(6)Zr3Ni9 cuboctahedra, corners with four equivalent Ni(1)YZr2Ni9 cuboctahedra, corners with five equivalent Ni(2)Y2ZrNi9 cuboctahedra, corners with five equivalent Ni(3)Zr3Ni9 cuboctahedra, edges with two equivalent Ni(2)Y2ZrNi9 cuboctahedra, edges with two equivalent Ni(1)YZr2Ni9 cuboctahedra, edges with two equivalent Ni(3)Zr3Ni9 cuboctahedra, faces with two equivalent Ni(2)Y2ZrNi9 cuboctahedra, faces with two equivalent Ni(3)Zr3Ni9 cuboctahedra, faces with three equivalent Ni(4)Y3Ni9 cuboctahedra, faces with three equivalent Ni(6)Zr3Ni9 cuboctahedra, faces with eight equivalent Ni(1)YZr2Ni9 cuboctahedra, and faces with four equivalent Ni(9)Y3ZrNi12 tetrahedra. The Ni(1)-Ni(4) bond length is 2.39 Å. The Ni(1)-Ni(6) bond length is 2.39 Å. The Ni(1)-Ni(8) bond length is 2.76 Å. Both Ni(1)-Ni(9) bond lengths are 2.79 Å. There are two shorter (2.35 Å) and two longer (2.43 Å) Ni(1)-Ni(1) bond lengths. In the second Ni site, Ni(2) is bonded to two equivalent Y(1), one Zr(1), one Ni(4), one Ni(5), one Ni(9), two equivalent Ni(7), and four equivalent Ni(2) atoms to form distorted NiY2ZrNi9 cuboctahedra that share corners with two equivalent Ni(4)Y3Ni9 cuboctahedra, corners with two equivalent Ni(5)Zr3Ni9 cuboctahedra, corners with four equivalent Ni(2)Y2ZrNi9 cuboctahedra, corners with five equivalent Ni(1)YZr2Ni9 cuboctahedra, corners with five equivalent Ni(3)Zr3Ni9 cuboctahedra, corners with two equivalent Ni(9)Y3ZrNi12 tetrahedra, edges with two equivalent Ni(2)Y2ZrNi9 cuboctahedra, edges with two equivalent Ni(1)YZr2Ni9 cuboctahedra, edges with two equivalent Ni(3)Zr3Ni9 cuboctahedra, faces with two equivalent Ni(1)YZr2Ni9 cuboctahedra, faces with two equivalent Ni(3)Zr3Ni9 cuboctahedra, faces with three equivalent Ni(4)Y3Ni9 cuboctahedra, faces with three equivalent Ni(5)Zr3Ni9 cuboctahedra, faces with eight equivalent Ni(2)Y2ZrNi9 cuboctahedra, and faces with three equivalent Ni(9)Y3ZrNi12 tetrahedra. The Ni(2)-Ni(4) bond length is 2.45 Å. The Ni(2)-Ni(5) bond length is 2.35 Å. The Ni(2)-Ni(9) bond length is 2.89 Å. Both Ni(2)-Ni(7) bond lengths are 2.81 Å. There are two shorter (2.38 Å) and two longer (2.40 Å) Ni(2)-Ni(2) bond lengths. In the third Ni site, Ni(3) is bonded to one Zr(2), two equivalent Zr(1), one Ni(5), one Ni(6), one Ni(7), two equivalent Ni(8), and four equivalent Ni(3) atoms to form distorted NiZr3Ni9 cuboctahedra that share corners with two equivalent Ni(5)Zr3Ni9 cuboctahedra, corners with two equivalent Ni(6)Zr3Ni9 cuboctahedra, corners with four equivalent Ni(3)Zr3Ni9 cuboctahedra, corners with five equivalent Ni(2)Y2ZrNi9 cuboctahedra, corners with five equivalent Ni(1)YZr2Ni9 cuboctahedra,  a cornercorner with one Ni(9)Y3ZrNi12 tetrahedra, edges with two equivalent Ni(2)Y2ZrNi9 cuboctahedra, edges with two equivalent Ni(1)YZr2Ni9 cuboctahedra, edges with two equivalent Ni(3)Zr3Ni9 cuboctahedra, faces with two equivalent Ni(2)Y2ZrNi9 cuboctahedra, faces with two equivalent Ni(1)YZr2Ni9 cuboctahedra, faces with three equivalent Ni(5)Zr3Ni9 cuboctahedra, faces with three equivalent Ni(6)Zr3Ni9 cuboctahedra, and faces with eight equivalent Ni(3)Zr3Ni9 cuboctahedra. The Ni(3)-Ni(5) bond length is 2.40 Å. The Ni(3)-Ni(6) bond length is 2.36 Å. The Ni(3)-Ni(7) bond length is 2.74 Å. Both Ni(3)-Ni(8) bond lengths are 2.80 Å. There are two shorter (2.37 Å) and two longer (2.41 Å) Ni(3)-Ni(3) bond lengths. In the fourth Ni site, Ni(4) is bonded to three equivalent Y(1), three equivalent Ni(1), three equivalent Ni(2), and three equivalent Ni(9) atoms to form distorted NiY3Ni9 cuboctahedra that share corners with three equivalent Ni(5)Zr3Ni9 cuboctahedra, corners with three equivalent Ni(6)Zr3Ni9 cuboctahedra, corners with six equivalent Ni(2)Y2ZrNi9 cuboctahedra, corners with six equivalent Ni(1)YZr2Ni9 cuboctahedra, corners with three equivalent Ni(9)Y3ZrNi12 tetrahedra, edges with six equivalent Ni(4)Y3Ni9 cuboctahedra, faces with nine equivalent Ni(2)Y2ZrNi9 cuboctahedra, faces with nine equivalent Ni(1)YZr2Ni9 cuboctahedra, and faces with three equivalent Ni(9)Y3ZrNi12 tetrahedra. All Ni(4)-Ni(9) bond lengths are 2.81 Å. In the fifth Ni site, Ni(5) is bonded to three equivalent Zr(1), three equivalent Ni(2), three equivalent Ni(3), and three equivalent Ni(7) atoms to form distorted NiZr3Ni9 cuboctahedra that share corners with three equivalent Ni(4)Y3Ni9 cuboctahedra, corners with three equivalent Ni(6)Zr3Ni9 cuboctahedra, corners with six equivalent Ni(2)Y2ZrNi9 cuboctahedra, corners with six equivalent Ni(3)Zr3Ni9 cuboctahedra, edges with six equivalent Ni(5)Zr3Ni9 cuboctahedra, faces with nine equivalent Ni(2)Y2ZrNi9 cuboctahedra, faces with nine equivalent Ni(3)Zr3Ni9 cuboctahedra, and  a faceface with one Ni(9)Y3ZrNi12 tetrahedra. All Ni(5)-Ni(7) bond lengths are 2.79 Å. In the sixth Ni site, Ni(6) is bonded to three equivalent Zr(2), three equivalent Ni(1), three equivalent Ni(3), and three equivalent Ni(8) atoms to form distorted NiZr3Ni9 cuboctahedra that share corners with three equivalent Ni(4)Y3Ni9 cuboctahedra, corners with three equivalent Ni(5)Zr3Ni9 cuboctahedra, corners with six equivalent Ni(1)YZr2Ni9 cuboctahedra, corners with six equivalent Ni(3)Zr3Ni9 cuboctahedra, edges with six equivalent Ni(6)Zr3Ni9 cuboctahedra, faces with nine equivalent Ni(1)YZr2Ni9 cuboctahedra, faces with nine equivalent Ni(3)Zr3Ni9 cuboctahedra, and faces with three equivalent Ni(9)Y3ZrNi12 tetrahedra. All Ni(6)-Ni(8) bond lengths are 2.80 Å. In the seventh Ni site, Ni(7) is bonded in a 16-coordinate geometry to one Y(1), three equivalent Zr(1), three equivalent Ni(3), three equivalent Ni(5), and six equivalent Ni(2) atoms. In the eighth Ni site, Ni(8) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), three equivalent Ni(1), three equivalent Ni(6), and six equivalent Ni(3) atoms. In the ninth Ni site, Ni(9) is bonded to three equivalent Y(1), one Zr(2), three equivalent Ni(2), three equivalent Ni(4), and six equivalent Ni(1) atoms to form distorted NiY3ZrNi12 tetrahedra that share corners with three equivalent Ni(4)Y3Ni9 cuboctahedra, corners with three equivalent Ni(3)Zr3Ni9 cuboctahedra, corners with six equivalent Ni(2)Y2ZrNi9 cuboctahedra,  a faceface with one Ni(5)Zr3Ni9 cuboctahedra, faces with three equivalent Ni(4)Y3Ni9 cuboctahedra, faces with three equivalent Ni(6)Zr3Ni9 cuboctahedra, faces with nine equivalent Ni(2)Y2ZrNi9 cuboctahedra, faces with twelve equivalent Ni(1)YZr2Ni9 cuboctahedra, and faces with six equivalent Ni(9)Y3ZrNi12 tetrahedra.