The material structure described by Dy2TiO5 crystallizes in the orthorhombic Cmcm space group. Dy(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted DyO6 pentagonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Dy(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Dy(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 31°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Dy(1)O6 pentagonal pyramids, and edges with six equivalent Dy(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Dy(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Dy(1) and one Ti(1) atom to form ODy3Ti trigonal pyramids that share  a cornercorner with one O(3)Dy2Ti2 tetrahedra, corners with three equivalent O(2)Dy3Ti trigonal pyramids, edges with two equivalent O(3)Dy2Ti2 tetrahedra, and edges with two equivalent O(2)Dy3Ti trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Dy(1) and two equivalent Ti(1) atoms to form distorted ODy2Ti2 tetrahedra that share corners with two equivalent O(3)Dy2Ti2 tetrahedra, corners with two equivalent O(2)Dy3Ti trigonal pyramids, and edges with four equivalent O(2)Dy3Ti trigonal pyramids. is represented by the CIF card [CIF]
data_Dy2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   5.914
_cell_length_c   10.528
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   139.598
_symmetry_Int_Tables_number   1
_cell_volume   238.628
_cell_formula_units_Z   2
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  0.143  0.857  0.930  1.0
  Dy  Dy1  1  0.143  0.857  0.570  1.0
  Dy  Dy2  1  0.857  0.143  0.070  1.0
  Dy  Dy3  1  0.857  0.143  0.430  1.0
  Ti  Ti4  1  0.170  0.830  0.250  1.0
  Ti  Ti5  1  0.830  0.170  0.750  1.0
  O  O6  1  0.051  0.949  0.376  1.0
  O  O7  1  0.051  0.949  0.124  1.0
  O  O8  1  0.711  0.289  0.908  1.0
  O  O9  1  0.711  0.289  0.592  1.0
  O  O10  1  0.277  0.723  0.750  1.0
  O  O11  1  0.723  0.277  0.250  1.0
  O  O12  1  0.289  0.711  0.092  1.0
  O  O13  1  0.289  0.711  0.408  1.0
  O  O14  1  0.949  0.051  0.624  1.0
  O  O15  1  0.949  0.051  0.876  1.0
[/CIF]
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The material structure described by Dy2TiO5 crystallizes in the orthorhombic Cmcm space group. Dy(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted DyO6 pentagonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Dy(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Dy(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 31°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Dy(1)O6 pentagonal pyramids, and edges with six equivalent Dy(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Dy(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Dy(1) and one Ti(1) atom to form ODy3Ti trigonal pyramids that share  a cornercorner with one O(3)Dy2Ti2 tetrahedra, corners with three equivalent O(2)Dy3Ti trigonal pyramids, edges with two equivalent O(3)Dy2Ti2 tetrahedra, and edges with two equivalent O(2)Dy3Ti trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Dy(1) and two equivalent Ti(1) atoms to form distorted ODy2Ti2 tetrahedra that share corners with two equivalent O(3)Dy2Ti2 tetrahedra, corners with two equivalent O(2)Dy3Ti trigonal pyramids, and edges with four equivalent O(2)Dy3Ti trigonal pyramids. is represented by the CIF card [CIF]
data_Dy2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   5.914
_cell_length_c   10.528
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   139.598
_symmetry_Int_Tables_number   1
_cell_volume   238.628
_cell_formula_units_Z   2
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  0.143  0.857  0.930  1.0
  Dy  Dy1  1  0.143  0.857  0.570  1.0
  Dy  Dy2  1  0.857  0.143  0.070  1.0
  Dy  Dy3  1  0.857  0.143  0.430  1.0
  Ti  Ti4  1  0.170  0.830  0.250  1.0
  Ti  Ti5  1  0.830  0.170  0.750  1.0
  O  O6  1  0.051  0.949  0.376  1.0
  O  O7  1  0.051  0.949  0.124  1.0
  O  O8  1  0.711  0.289  0.908  1.0
  O  O9  1  0.711  0.289  0.592  1.0
  O  O10  1  0.277  0.723  0.750  1.0
  O  O11  1  0.723  0.277  0.250  1.0
  O  O12  1  0.289  0.711  0.092  1.0
  O  O13  1  0.289  0.711  0.408  1.0
  O  O14  1  0.949  0.051  0.624  1.0
  O  O15  1  0.949  0.051  0.876  1.0
[/CIF]
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