Dy2Ti2O7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. In the second Dy site, Dy(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 31°. In the second Ti site, Ti(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(2) and two equivalent Ti(2) atoms to form a mixture of edge and corner-sharing ODy2Ti2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Dy(1) and two equivalent Ti(2) atoms to form a mixture of edge and corner-sharing ODy2Ti2 tetrahedra. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Dy(2) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to one Dy(1), one Dy(2), one Ti(1), and one Ti(2) atom to form a mixture of edge and corner-sharing ODy2Ti2 tetrahedra.
Dy2Ti2O7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. Both Dy(1)-O(2) bond lengths are 2.23 Å. All Dy(1)-O(4) bond lengths are 2.23 Å. In the second Dy site, Dy(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. Both Dy(2)-O(1) bond lengths are 2.22 Å. Both Dy(2)-O(3) bond lengths are 2.71 Å. All Dy(2)-O(4) bond lengths are 2.36 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 31°. Both Ti(1)-O(3) bond lengths are 1.92 Å. All Ti(1)-O(4) bond lengths are 2.00 Å. In the second Ti site, Ti(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Both Ti(2)-O(1) bond lengths are 2.21 Å. Both Ti(2)-O(2) bond lengths are 2.20 Å. All Ti(2)-O(4) bond lengths are 2.29 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(2) and two equivalent Ti(2) atoms to form a mixture of edge and corner-sharing ODy2Ti2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Dy(1) and two equivalent Ti(2) atoms to form a mixture of edge and corner-sharing ODy2Ti2 tetrahedra. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Dy(2) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to one Dy(1), one Dy(2), one Ti(1), and one Ti(2) atom to form a mixture of edge and corner-sharing ODy2Ti2 tetrahedra.