Dy2Zr2O7 crystallizes in the orthorhombic Pmma space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing DyO6 octahedra. The corner-sharing octahedral tilt angles are 69°. In the second Dy site, Dy(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(1) and two equivalent Zr(1) atoms to form ODy2Zr2 tetrahedra that share corners with two equivalent O(3)Zr4 tetrahedra, corners with four equivalent O(1)Dy2Zr2 tetrahedra, corners with four equivalent O(2)Dy3Zr tetrahedra, corners with four equivalent O(5)DyZr3 tetrahedra,  an edgeedge with one O(3)Zr4 tetrahedra, and edges with four equivalent O(2)Dy3Zr tetrahedra. In the second O site, O(2) is bonded to one Dy(2), two equivalent Dy(1), and one Zr(1) atom to form distorted ODy3Zr tetrahedra that share corners with two equivalent O(1)Dy2Zr2 tetrahedra, corners with two equivalent O(4)Dy2Zr2 tetrahedra, corners with two equivalent O(5)DyZr3 tetrahedra, corners with two equivalent O(3)Zr4 tetrahedra, corners with six equivalent O(2)Dy3Zr tetrahedra,  an edgeedge with one O(2)Dy3Zr tetrahedra,  an edgeedge with one O(5)DyZr3 tetrahedra, and edges with two equivalent O(1)Dy2Zr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form OZr4 tetrahedra that share corners with two equivalent O(1)Dy2Zr2 tetrahedra, corners with two equivalent O(4)Dy2Zr2 tetrahedra, corners with four equivalent O(2)Dy3Zr tetrahedra, corners with four equivalent O(5)DyZr3 tetrahedra, corners with four equivalent O(3)Zr4 tetrahedra,  an edgeedge with one O(1)Dy2Zr2 tetrahedra,  an edgeedge with one O(4)Dy2Zr2 tetrahedra, and edges with four equivalent O(5)DyZr3 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Dy(2) and two equivalent Zr(2) atoms to form ODy2Zr2 tetrahedra that share corners with two equivalent O(3)Zr4 tetrahedra, corners with four equivalent O(4)Dy2Zr2 tetrahedra, corners with four equivalent O(2)Dy3Zr tetrahedra, corners with four equivalent O(5)DyZr3 tetrahedra,  an edgeedge with one O(3)Zr4 tetrahedra, and edges with four equivalent O(5)DyZr3 tetrahedra. In the fifth O site, O(5) is bonded to one Dy(2), one Zr(1), and two equivalent Zr(2) atoms to form ODyZr3 tetrahedra that share corners with two equivalent O(1)Dy2Zr2 tetrahedra, corners with two equivalent O(4)Dy2Zr2 tetrahedra, corners with two equivalent O(2)Dy3Zr tetrahedra, corners with two equivalent O(3)Zr4 tetrahedra, corners with six equivalent O(5)DyZr3 tetrahedra,  an edgeedge with one O(2)Dy3Zr tetrahedra,  an edgeedge with one O(5)DyZr3 tetrahedra, edges with two equivalent O(4)Dy2Zr2 tetrahedra, and edges with two equivalent O(3)Zr4 tetrahedra.
Dy2Zr2O7 crystallizes in the orthorhombic Pmma space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing DyO6 octahedra. The corner-sharing octahedral tilt angles are 69°. Both Dy(1)-O(1) bond lengths are 2.28 Å. All Dy(1)-O(2) bond lengths are 2.30 Å. In the second Dy site, Dy(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Both Dy(2)-O(2) bond lengths are 2.19 Å. Both Dy(2)-O(4) bond lengths are 2.18 Å. Both Dy(2)-O(5) bond lengths are 2.33 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Both Zr(1)-O(1) bond lengths are 2.30 Å. Both Zr(1)-O(2) bond lengths are 2.58 Å. Both Zr(1)-O(3) bond lengths are 2.17 Å. Both Zr(1)-O(5) bond lengths are 2.20 Å. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. Both Zr(2)-O(3) bond lengths are 2.35 Å. Both Zr(2)-O(4) bond lengths are 2.22 Å. All Zr(2)-O(5) bond lengths are 2.21 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(1) and two equivalent Zr(1) atoms to form ODy2Zr2 tetrahedra that share corners with two equivalent O(3)Zr4 tetrahedra, corners with four equivalent O(1)Dy2Zr2 tetrahedra, corners with four equivalent O(2)Dy3Zr tetrahedra, corners with four equivalent O(5)DyZr3 tetrahedra,  an edgeedge with one O(3)Zr4 tetrahedra, and edges with four equivalent O(2)Dy3Zr tetrahedra. In the second O site, O(2) is bonded to one Dy(2), two equivalent Dy(1), and one Zr(1) atom to form distorted ODy3Zr tetrahedra that share corners with two equivalent O(1)Dy2Zr2 tetrahedra, corners with two equivalent O(4)Dy2Zr2 tetrahedra, corners with two equivalent O(5)DyZr3 tetrahedra, corners with two equivalent O(3)Zr4 tetrahedra, corners with six equivalent O(2)Dy3Zr tetrahedra,  an edgeedge with one O(2)Dy3Zr tetrahedra,  an edgeedge with one O(5)DyZr3 tetrahedra, and edges with two equivalent O(1)Dy2Zr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form OZr4 tetrahedra that share corners with two equivalent O(1)Dy2Zr2 tetrahedra, corners with two equivalent O(4)Dy2Zr2 tetrahedra, corners with four equivalent O(2)Dy3Zr tetrahedra, corners with four equivalent O(5)DyZr3 tetrahedra, corners with four equivalent O(3)Zr4 tetrahedra,  an edgeedge with one O(1)Dy2Zr2 tetrahedra,  an edgeedge with one O(4)Dy2Zr2 tetrahedra, and edges with four equivalent O(5)DyZr3 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Dy(2) and two equivalent Zr(2) atoms to form ODy2Zr2 tetrahedra that share corners with two equivalent O(3)Zr4 tetrahedra, corners with four equivalent O(4)Dy2Zr2 tetrahedra, corners with four equivalent O(2)Dy3Zr tetrahedra, corners with four equivalent O(5)DyZr3 tetrahedra,  an edgeedge with one O(3)Zr4 tetrahedra, and edges with four equivalent O(5)DyZr3 tetrahedra. In the fifth O site, O(5) is bonded to one Dy(2), one Zr(1), and two equivalent Zr(2) atoms to form ODyZr3 tetrahedra that share corners with two equivalent O(1)Dy2Zr2 tetrahedra, corners with two equivalent O(4)Dy2Zr2 tetrahedra, corners with two equivalent O(2)Dy3Zr tetrahedra, corners with two equivalent O(3)Zr4 tetrahedra, corners with six equivalent O(5)DyZr3 tetrahedra,  an edgeedge with one O(2)Dy3Zr tetrahedra,  an edgeedge with one O(5)DyZr3 tetrahedra, edges with two equivalent O(4)Dy2Zr2 tetrahedra, and edges with two equivalent O(3)Zr4 tetrahedra.