The structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy2Zr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.613
_cell_length_b   7.530
_cell_length_c   10.652
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.785
_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  0.500  0.000  0.500  1.0
  Dy  Dy1  1  0.000  0.750  0.225  1.0
  Dy  Dy2  1  0.500  0.500  0.500  1.0
  Dy  Dy3  1  0.000  0.250  0.775  1.0
  Zr  Zr4  1  0.000  0.750  0.755  1.0
  Zr  Zr5  1  0.000  0.250  0.245  1.0
  Zr  Zr6  1  0.500  0.500  0.000  1.0
  Zr  Zr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.500  0.750  0.621  1.0
  O  O9  1  0.000  0.957  0.370  1.0
  O  O10  1  0.500  0.250  0.133  1.0
  O  O11  1  0.500  0.750  0.110  1.0
  O  O12  1  0.000  0.520  0.881  1.0
  O  O13  1  0.000  0.980  0.881  1.0
  O  O14  1  0.000  0.020  0.119  1.0
  O  O15  1  0.500  0.250  0.890  1.0
  O  O16  1  0.000  0.543  0.370  1.0
  O  O17  1  0.000  0.043  0.630  1.0
  O  O18  1  0.000  0.457  0.630  1.0
  O  O19  1  0.500  0.250  0.379  1.0
  O  O20  1  0.000  0.480  0.119  1.0
  O  O21  1  0.500  0.750  0.867  1.0
[/CIF]
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The structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy2Zr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.613
_cell_length_b   7.530
_cell_length_c   10.652
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.785
_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  0.500  0.000  0.500  1.0
  Dy  Dy1  1  0.000  0.750  0.225  1.0
  Dy  Dy2  1  0.500  0.500  0.500  1.0
  Dy  Dy3  1  0.000  0.250  0.775  1.0
  Zr  Zr4  1  0.000  0.750  0.755  1.0
  Zr  Zr5  1  0.000  0.250  0.245  1.0
  Zr  Zr6  1  0.500  0.500  0.000  1.0
  Zr  Zr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.500  0.750  0.621  1.0
  O  O9  1  0.000  0.957  0.370  1.0
  O  O10  1  0.500  0.250  0.133  1.0
  O  O11  1  0.500  0.750  0.110  1.0
  O  O12  1  0.000  0.520  0.881  1.0
  O  O13  1  0.000  0.980  0.881  1.0
  O  O14  1  0.000  0.020  0.119  1.0
  O  O15  1  0.500  0.250  0.890  1.0
  O  O16  1  0.000  0.543  0.370  1.0
  O  O17  1  0.000  0.043  0.630  1.0
  O  O18  1  0.000  0.457  0.630  1.0
  O  O19  1  0.500  0.250  0.379  1.0
  O  O20  1  0.000  0.480  0.119  1.0
  O  O21  1  0.500  0.750  0.867  1.0
[/CIF]
.