DyNi3 crystallizes in the trigonal R-3m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 12-coordinate geometry to three equivalent Ni(3) and nine equivalent Ni(1) atoms. In the second Dy site, Dy(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(2) and twelve equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Dy(2), three equivalent Dy(1), one Ni(3), two equivalent Ni(2), and four equivalent Ni(1) atoms to form distorted NiDy5Ni7 cuboctahedra that share corners with two equivalent Ni(3)Dy6Ni6 cuboctahedra, corners with fifteen equivalent Ni(1)Dy5Ni7 cuboctahedra, edges with eight equivalent Ni(1)Dy5Ni7 cuboctahedra, faces with three equivalent Ni(3)Dy6Ni6 cuboctahedra, and faces with eleven equivalent Ni(1)Dy5Ni7 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Dy(2) and six equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded to six equivalent Dy(1) and six equivalent Ni(1) atoms to form NiDy6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Dy5Ni7 cuboctahedra, edges with six equivalent Ni(3)Dy6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Dy5Ni7 cuboctahedra.
DyNi3 crystallizes in the trigonal R-3m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 12-coordinate geometry to three equivalent Ni(3) and nine equivalent Ni(1) atoms. All Dy(1)-Ni(3) bond lengths are 2.94 Å. There are six shorter (2.84 Å) and three longer (3.07 Å) Dy(1)-Ni(1) bond lengths. In the second Dy site, Dy(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(2) and twelve equivalent Ni(1) atoms. All Dy(2)-Ni(2) bond lengths are 2.86 Å. All Dy(2)-Ni(1) bond lengths are 3.18 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Dy(2), three equivalent Dy(1), one Ni(3), two equivalent Ni(2), and four equivalent Ni(1) atoms to form distorted NiDy5Ni7 cuboctahedra that share corners with two equivalent Ni(3)Dy6Ni6 cuboctahedra, corners with fifteen equivalent Ni(1)Dy5Ni7 cuboctahedra, edges with eight equivalent Ni(1)Dy5Ni7 cuboctahedra, faces with three equivalent Ni(3)Dy6Ni6 cuboctahedra, and faces with eleven equivalent Ni(1)Dy5Ni7 cuboctahedra. The Ni(1)-Ni(3) bond length is 2.51 Å. There is one shorter (2.45 Å) and one longer (2.46 Å) Ni(1)-Ni(2) bond length. There are two shorter (2.47 Å) and two longer (2.48 Å) Ni(1)-Ni(1) bond lengths. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Dy(2) and six equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded to six equivalent Dy(1) and six equivalent Ni(1) atoms to form NiDy6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Dy5Ni7 cuboctahedra, edges with six equivalent Ni(3)Dy6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Dy5Ni7 cuboctahedra.