The material structure described by Dy2TiO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(4) atoms. In the second Dy site, Dy(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form DyO6 octahedra that share corners with two equivalent Dy(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Dy(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. Ti(1) is bonded to one O(3), one O(4), one O(5), and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Dy(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-64°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(1) and two equivalent Dy(2) atoms to form ODy4 tetrahedra that share corners with two equivalent O(3)Dy3Ti tetrahedra, corners with four equivalent O(4)Dy3Ti tetrahedra, corners with four equivalent O(1)Dy4 tetrahedra,  an edgeedge with one O(4)Dy3Ti tetrahedra, and edges with two equivalent O(3)Dy3Ti tetrahedra. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to three equivalent Ti(1) atoms. In the third O site, O(3) is bonded to one Dy(1), two equivalent Dy(2), and one Ti(1) atom to form ODy3Ti tetrahedra that share corners with two equivalent O(3)Dy3Ti tetrahedra, corners with two equivalent O(1)Dy4 tetrahedra, corners with four equivalent O(4)Dy3Ti tetrahedra, and edges with two equivalent O(1)Dy4 tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Dy(1) and one Ti(1) atom to form ODy3Ti tetrahedra that share corners with two equivalent O(4)Dy3Ti tetrahedra, corners with four equivalent O(3)Dy3Ti tetrahedra, corners with four equivalent O(1)Dy4 tetrahedra,  an edgeedge with one O(1)Dy4 tetrahedra, and edges with two equivalent O(4)Dy3Ti tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Dy(2) and one Ti(1) atom. is represented by the CIF card [CIF]
data_Dy2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.636
_cell_length_b   7.458
_cell_length_c   15.566
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   422.060
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Dy  Dy0  1  0.250  0.108  0.083  1.0
  Dy  Dy1  1  0.250  0.149  0.738  1.0
  Dy  Dy2  1  0.750  0.351  0.238  1.0
  Dy  Dy3  1  0.750  0.392  0.583  1.0
  Dy  Dy4  1  0.250  0.608  0.417  1.0
  Dy  Dy5  1  0.250  0.649  0.762  1.0
  Dy  Dy6  1  0.750  0.851  0.262  1.0
  Dy  Dy7  1  0.750  0.892  0.917  1.0
  Ti  Ti8  1  0.250  0.120  0.424  1.0
  Ti  Ti9  1  0.750  0.380  0.924  1.0
  Ti  Ti10  1  0.250  0.620  0.076  1.0
  Ti  Ti11  1  0.750  0.880  0.576  1.0
  O  O12  1  0.750  0.083  0.174  1.0
  O  O13  1  0.750  0.079  0.454  1.0
  O  O14  1  0.750  0.110  0.649  1.0
  O  O15  1  0.750  0.156  0.995  1.0
  O  O16  1  0.250  0.260  0.325  1.0
  O  O17  1  0.750  0.240  0.825  1.0
  O  O18  1  0.250  0.344  0.495  1.0
  O  O19  1  0.250  0.390  0.149  1.0
  O  O20  1  0.250  0.421  0.954  1.0
  O  O21  1  0.250  0.417  0.674  1.0
  O  O22  1  0.750  0.583  0.326  1.0
  O  O23  1  0.750  0.579  0.046  1.0
  O  O24  1  0.750  0.610  0.851  1.0
  O  O25  1  0.750  0.656  0.505  1.0
  O  O26  1  0.250  0.760  0.175  1.0
  O  O27  1  0.750  0.740  0.675  1.0
  O  O28  1  0.250  0.844  0.005  1.0
  O  O29  1  0.250  0.890  0.351  1.0
  O  O30  1  0.250  0.921  0.546  1.0
  O  O31  1  0.250  0.917  0.826  1.0
[/CIF]
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The material structure described by Dy2TiO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(4) atoms. In the second Dy site, Dy(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form DyO6 octahedra that share corners with two equivalent Dy(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Dy(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. Ti(1) is bonded to one O(3), one O(4), one O(5), and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Dy(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-64°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(1) and two equivalent Dy(2) atoms to form ODy4 tetrahedra that share corners with two equivalent O(3)Dy3Ti tetrahedra, corners with four equivalent O(4)Dy3Ti tetrahedra, corners with four equivalent O(1)Dy4 tetrahedra,  an edgeedge with one O(4)Dy3Ti tetrahedra, and edges with two equivalent O(3)Dy3Ti tetrahedra. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to three equivalent Ti(1) atoms. In the third O site, O(3) is bonded to one Dy(1), two equivalent Dy(2), and one Ti(1) atom to form ODy3Ti tetrahedra that share corners with two equivalent O(3)Dy3Ti tetrahedra, corners with two equivalent O(1)Dy4 tetrahedra, corners with four equivalent O(4)Dy3Ti tetrahedra, and edges with two equivalent O(1)Dy4 tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Dy(1) and one Ti(1) atom to form ODy3Ti tetrahedra that share corners with two equivalent O(4)Dy3Ti tetrahedra, corners with four equivalent O(3)Dy3Ti tetrahedra, corners with four equivalent O(1)Dy4 tetrahedra,  an edgeedge with one O(1)Dy4 tetrahedra, and edges with two equivalent O(4)Dy3Ti tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Dy(2) and one Ti(1) atom. is represented by the CIF card [CIF]
data_Dy2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.636
_cell_length_b   7.458
_cell_length_c   15.566
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   422.060
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Dy  Dy0  1  0.250  0.108  0.083  1.0
  Dy  Dy1  1  0.250  0.149  0.738  1.0
  Dy  Dy2  1  0.750  0.351  0.238  1.0
  Dy  Dy3  1  0.750  0.392  0.583  1.0
  Dy  Dy4  1  0.250  0.608  0.417  1.0
  Dy  Dy5  1  0.250  0.649  0.762  1.0
  Dy  Dy6  1  0.750  0.851  0.262  1.0
  Dy  Dy7  1  0.750  0.892  0.917  1.0
  Ti  Ti8  1  0.250  0.120  0.424  1.0
  Ti  Ti9  1  0.750  0.380  0.924  1.0
  Ti  Ti10  1  0.250  0.620  0.076  1.0
  Ti  Ti11  1  0.750  0.880  0.576  1.0
  O  O12  1  0.750  0.083  0.174  1.0
  O  O13  1  0.750  0.079  0.454  1.0
  O  O14  1  0.750  0.110  0.649  1.0
  O  O15  1  0.750  0.156  0.995  1.0
  O  O16  1  0.250  0.260  0.325  1.0
  O  O17  1  0.750  0.240  0.825  1.0
  O  O18  1  0.250  0.344  0.495  1.0
  O  O19  1  0.250  0.390  0.149  1.0
  O  O20  1  0.250  0.421  0.954  1.0
  O  O21  1  0.250  0.417  0.674  1.0
  O  O22  1  0.750  0.583  0.326  1.0
  O  O23  1  0.750  0.579  0.046  1.0
  O  O24  1  0.750  0.610  0.851  1.0
  O  O25  1  0.750  0.656  0.505  1.0
  O  O26  1  0.250  0.760  0.175  1.0
  O  O27  1  0.750  0.740  0.675  1.0
  O  O28  1  0.250  0.844  0.005  1.0
  O  O29  1  0.250  0.890  0.351  1.0
  O  O30  1  0.250  0.921  0.546  1.0
  O  O31  1  0.250  0.917  0.826  1.0
[/CIF]
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