Dy3Al2(Ni2H3)3 crystallizes in the cubic Im-3m space group. Dy(1) is bonded in a 5-coordinate geometry to one H(3), one H(4), and four equivalent H(1) atoms. Ni(1) is bonded in a 2-coordinate geometry to one H(3) and two equivalent H(2) atoms. Al(1) is bonded in a distorted linear geometry to two equivalent H(1) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded to three equivalent Dy(1) and one Al(1) atom to form HDy3Al tetrahedra that share corners with three equivalent H(3)Dy2Ni4 octahedra, corners with four equivalent H(1)Dy3Al tetrahedra, edges with three equivalent H(1)Dy3Al tetrahedra, and  a faceface with one H(4)Dy6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second H site, H(2) is bonded to four equivalent Ni(1) atoms to form HNi4 tetrahedra that share corners with four equivalent H(2)Ni4 tetrahedra and edges with two equivalent H(3)Dy2Ni4 octahedra. In the third H site, H(3) is bonded to two equivalent Dy(1) and four equivalent Ni(1) atoms to form HDy2Ni4 octahedra that share corners with two equivalent H(4)Dy6 octahedra, corners with eight equivalent H(1)Dy3Al tetrahedra, and edges with four equivalent H(2)Ni4 tetrahedra. The corner-sharing octahedra are not tilted. In the fourth H site, H(4) is bonded to six equivalent Dy(1) atoms to form HDy6 octahedra that share corners with six equivalent H(3)Dy2Ni4 octahedra and faces with eight equivalent H(1)Dy3Al tetrahedra. The corner-sharing octahedra are not tilted.
Dy3Al2(Ni2H3)3 crystallizes in the cubic Im-3m space group. Dy(1) is bonded in a 5-coordinate geometry to one H(3), one H(4), and four equivalent H(1) atoms. The Dy(1)-H(3) bond length is 2.11 Å. The Dy(1)-H(4) bond length is 2.47 Å. All Dy(1)-H(1) bond lengths are 2.12 Å. Ni(1) is bonded in a 2-coordinate geometry to one H(3) and two equivalent H(2) atoms. The Ni(1)-H(3) bond length is 2.10 Å. Both Ni(1)-H(2) bond lengths are 1.69 Å. Al(1) is bonded in a distorted linear geometry to two equivalent H(1) atoms. Both Al(1)-H(1) bond lengths are 1.87 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded to three equivalent Dy(1) and one Al(1) atom to form HDy3Al tetrahedra that share corners with three equivalent H(3)Dy2Ni4 octahedra, corners with four equivalent H(1)Dy3Al tetrahedra, edges with three equivalent H(1)Dy3Al tetrahedra, and  a faceface with one H(4)Dy6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second H site, H(2) is bonded to four equivalent Ni(1) atoms to form HNi4 tetrahedra that share corners with four equivalent H(2)Ni4 tetrahedra and edges with two equivalent H(3)Dy2Ni4 octahedra. In the third H site, H(3) is bonded to two equivalent Dy(1) and four equivalent Ni(1) atoms to form HDy2Ni4 octahedra that share corners with two equivalent H(4)Dy6 octahedra, corners with eight equivalent H(1)Dy3Al tetrahedra, and edges with four equivalent H(2)Ni4 tetrahedra. The corner-sharing octahedra are not tilted. In the fourth H site, H(4) is bonded to six equivalent Dy(1) atoms to form HDy6 octahedra that share corners with six equivalent H(3)Dy2Ni4 octahedra and faces with eight equivalent H(1)Dy3Al tetrahedra. The corner-sharing octahedra are not tilted.