CaDy(NiO3)4 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. Dy(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-33°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Dy(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Dy(1) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Dy(1) and two equivalent Ni(1) atoms.
CaDy(NiO3)4 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. Both Ca(1)-O(2) bond lengths are 2.64 Å. All Ca(1)-O(1) bond lengths are 2.45 Å. There are two shorter (2.52 Å) and two longer (2.77 Å) Ca(1)-O(4) bond lengths. Dy(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Both Dy(1)-O(2) bond lengths are 2.55 Å. Both Dy(1)-O(3) bond lengths are 2.26 Å. Both Dy(1)-O(5) bond lengths are 2.24 Å. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-33°. The Ni(1)-O(2) bond length is 1.90 Å. The Ni(1)-O(3) bond length is 1.86 Å. The Ni(1)-O(4) bond length is 1.91 Å. The Ni(1)-O(5) bond length is 1.91 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Ni(1)-O(1) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Dy(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Dy(1) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Dy(1) and two equivalent Ni(1) atoms.