BaDy(NiO3)4 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Dy(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Dy(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form DyO12 cuboctahedra that share corners with four equivalent Dy(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Ni(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Dy(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Dy(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Dy(1) and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and two equivalent Ni(1) atoms.
BaDy(NiO3)4 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Dy(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. All Ba(1)-O(3) bond lengths are 2.73 Å. All Ba(1)-O(1) bond lengths are 2.95 Å. Dy(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form DyO12 cuboctahedra that share corners with four equivalent Dy(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. All Dy(1)-O(2) bond lengths are 2.73 Å. All Dy(1)-O(1) bond lengths are 2.48 Å. Ni(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Dy(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. The Ni(1)-O(2) bond length is 1.90 Å. The Ni(1)-O(3) bond length is 1.92 Å. All Ni(1)-O(1) bond lengths are 1.95 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Dy(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Dy(1) and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and two equivalent Ni(1) atoms.