The structure described by Ce2ZrO6 is Fluorite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the third Ce site, Ce(3) is bonded in a body-centered cubic geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. Zr(1) is bonded in a body-centered cubic geometry to one O(1), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ce(1), two equivalent Ce(3), and one Zr(1) atom to form OCe3Zr tetrahedra that share  a cornercorner with one O(4)Ce3Zr tetrahedra,  a cornercorner with one O(6)Ce3Zr tetrahedra, corners with two equivalent O(5)Ce2Zr2 tetrahedra, corners with three equivalent O(1)Ce3Zr tetrahedra, corners with four equivalent O(2)Ce2Zr2 tetrahedra, corners with five equivalent O(3)Ce3Zr tetrahedra,  an edgeedge with one O(5)Ce2Zr2 tetrahedra, edges with two equivalent O(4)Ce3Zr tetrahedra, and edges with three equivalent O(6)Ce3Zr tetrahedra. In the second O site, O(2) is bonded to one Ce(2), one Ce(3), and two equivalent Zr(1) atoms to form OCe2Zr2 tetrahedra that share  a cornercorner with one O(5)Ce2Zr2 tetrahedra,  a cornercorner with one O(4)Ce3Zr tetrahedra, corners with two equivalent O(6)Ce3Zr tetrahedra, corners with three equivalent O(2)Ce2Zr2 tetrahedra, corners with four equivalent O(1)Ce3Zr tetrahedra, corners with five equivalent O(3)Ce3Zr tetrahedra,  an edgeedge with one O(6)Ce3Zr tetrahedra, edges with two equivalent O(4)Ce3Zr tetrahedra, and edges with three equivalent O(5)Ce2Zr2 tetrahedra. In the third O site, O(3) is bonded to one Ce(1), one Ce(2), one Ce(3), and one Zr(1) atom to form OCe3Zr tetrahedra that share  a cornercorner with one O(5)Ce2Zr2 tetrahedra,  a cornercorner with one O(6)Ce3Zr tetrahedra, corners with two equivalent O(3)Ce3Zr tetrahedra, corners with two equivalent O(4)Ce3Zr tetrahedra, corners with five equivalent O(2)Ce2Zr2 tetrahedra, corners with five equivalent O(1)Ce3Zr tetrahedra, edges with two equivalent O(5)Ce2Zr2 tetrahedra, edges with two equivalent O(4)Ce3Zr tetrahedra, and edges with two equivalent O(6)Ce3Zr tetrahedra. In the fourth O site, O(4) is bonded to one Ce(1), one Ce(2), one Ce(3), and one Zr(1) atom to form OCe3Zr tetrahedra that share  a cornercorner with one O(2)Ce2Zr2 tetrahedra,  a cornercorner with one O(1)Ce3Zr tetrahedra, corners with two equivalent O(3)Ce3Zr tetrahedra, corners with two equivalent O(4)Ce3Zr tetrahedra, corners with five equivalent O(5)Ce2Zr2 tetrahedra, corners with five equivalent O(6)Ce3Zr tetrahedra, edges with two equivalent O(2)Ce2Zr2 tetrahedra, edges with two equivalent O(1)Ce3Zr tetrahedra, and edges with two equivalent O(3)Ce3Zr tetrahedra. In the fifth O site, O(5) is bonded to one Ce(2), one Ce(3), and two equivalent Zr(1) atoms to form OCe2Zr2 tetrahedra that share  a cornercorner with one O(2)Ce2Zr2 tetrahedra,  a cornercorner with one O(3)Ce3Zr tetrahedra, corners with two equivalent O(1)Ce3Zr tetrahedra, corners with three equivalent O(5)Ce2Zr2 tetrahedra, corners with four equivalent O(6)Ce3Zr tetrahedra, corners with five equivalent O(4)Ce3Zr tetrahedra,  an edgeedge with one O(1)Ce3Zr tetrahedra, edges with two equivalent O(3)Ce3Zr tetrahedra, and edges with three equivalent O(2)Ce2Zr2 tetrahedra. In the sixth O site, O(6) is bonded to one Ce(1), two equivalent Ce(3), and one Zr(1) atom to form OCe3Zr tetrahedra that share  a cornercorner with one O(1)Ce3Zr tetrahedra,  a cornercorner with one O(3)Ce3Zr tetrahedra, corners with two equivalent O(2)Ce2Zr2 tetrahedra, corners with three equivalent O(6)Ce3Zr tetrahedra, corners with four equivalent O(5)Ce2Zr2 tetrahedra, corners with five equivalent O(4)Ce3Zr tetrahedra,  an edgeedge with one O(2)Ce2Zr2 tetrahedra, edges with two equivalent O(3)Ce3Zr tetrahedra, and edges with three equivalent O(1)Ce3Zr tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2ZrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.602
_cell_length_b   6.602
_cell_length_c   7.612
_cell_angle_alpha   72.885
_cell_angle_beta   72.885
_cell_angle_gamma   47.960
_symmetry_Int_Tables_number   1
_cell_volume   233.319
_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
  Ce  Ce0  1  0.833  0.167  0.500  1.0
  Ce  Ce1  1  0.839  0.161  0.000  1.0
  Ce  Ce2  1  0.497  0.836  0.668  1.0
  Ce  Ce3  1  0.164  0.503  0.332  1.0
  Zr  Zr4  1  0.503  0.836  0.163  1.0
  Zr  Zr5  1  0.164  0.497  0.837  1.0
  O  O6  1  0.727  0.594  0.399  1.0
  O  O7  1  0.401  0.236  0.069  1.0
  O  O8  1  0.088  0.885  0.749  1.0
  O  O9  1  0.582  0.403  0.243  1.0
  O  O10  1  0.243  0.081  0.910  1.0
  O  O11  1  0.907  0.748  0.579  1.0
  O  O12  1  0.597  0.418  0.757  1.0
  O  O13  1  0.252  0.093  0.421  1.0
  O  O14  1  0.919  0.757  0.090  1.0
  O  O15  1  0.764  0.599  0.931  1.0
  O  O16  1  0.406  0.273  0.601  1.0
  O  O17  1  0.115  0.912  0.251  1.0
[/CIF]
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The structure described by Ce2ZrO6 is Fluorite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the third Ce site, Ce(3) is bonded in a body-centered cubic geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. Zr(1) is bonded in a body-centered cubic geometry to one O(1), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ce(1), two equivalent Ce(3), and one Zr(1) atom to form OCe3Zr tetrahedra that share  a cornercorner with one O(4)Ce3Zr tetrahedra,  a cornercorner with one O(6)Ce3Zr tetrahedra, corners with two equivalent O(5)Ce2Zr2 tetrahedra, corners with three equivalent O(1)Ce3Zr tetrahedra, corners with four equivalent O(2)Ce2Zr2 tetrahedra, corners with five equivalent O(3)Ce3Zr tetrahedra,  an edgeedge with one O(5)Ce2Zr2 tetrahedra, edges with two equivalent O(4)Ce3Zr tetrahedra, and edges with three equivalent O(6)Ce3Zr tetrahedra. In the second O site, O(2) is bonded to one Ce(2), one Ce(3), and two equivalent Zr(1) atoms to form OCe2Zr2 tetrahedra that share  a cornercorner with one O(5)Ce2Zr2 tetrahedra,  a cornercorner with one O(4)Ce3Zr tetrahedra, corners with two equivalent O(6)Ce3Zr tetrahedra, corners with three equivalent O(2)Ce2Zr2 tetrahedra, corners with four equivalent O(1)Ce3Zr tetrahedra, corners with five equivalent O(3)Ce3Zr tetrahedra,  an edgeedge with one O(6)Ce3Zr tetrahedra, edges with two equivalent O(4)Ce3Zr tetrahedra, and edges with three equivalent O(5)Ce2Zr2 tetrahedra. In the third O site, O(3) is bonded to one Ce(1), one Ce(2), one Ce(3), and one Zr(1) atom to form OCe3Zr tetrahedra that share  a cornercorner with one O(5)Ce2Zr2 tetrahedra,  a cornercorner with one O(6)Ce3Zr tetrahedra, corners with two equivalent O(3)Ce3Zr tetrahedra, corners with two equivalent O(4)Ce3Zr tetrahedra, corners with five equivalent O(2)Ce2Zr2 tetrahedra, corners with five equivalent O(1)Ce3Zr tetrahedra, edges with two equivalent O(5)Ce2Zr2 tetrahedra, edges with two equivalent O(4)Ce3Zr tetrahedra, and edges with two equivalent O(6)Ce3Zr tetrahedra. In the fourth O site, O(4) is bonded to one Ce(1), one Ce(2), one Ce(3), and one Zr(1) atom to form OCe3Zr tetrahedra that share  a cornercorner with one O(2)Ce2Zr2 tetrahedra,  a cornercorner with one O(1)Ce3Zr tetrahedra, corners with two equivalent O(3)Ce3Zr tetrahedra, corners with two equivalent O(4)Ce3Zr tetrahedra, corners with five equivalent O(5)Ce2Zr2 tetrahedra, corners with five equivalent O(6)Ce3Zr tetrahedra, edges with two equivalent O(2)Ce2Zr2 tetrahedra, edges with two equivalent O(1)Ce3Zr tetrahedra, and edges with two equivalent O(3)Ce3Zr tetrahedra. In the fifth O site, O(5) is bonded to one Ce(2), one Ce(3), and two equivalent Zr(1) atoms to form OCe2Zr2 tetrahedra that share  a cornercorner with one O(2)Ce2Zr2 tetrahedra,  a cornercorner with one O(3)Ce3Zr tetrahedra, corners with two equivalent O(1)Ce3Zr tetrahedra, corners with three equivalent O(5)Ce2Zr2 tetrahedra, corners with four equivalent O(6)Ce3Zr tetrahedra, corners with five equivalent O(4)Ce3Zr tetrahedra,  an edgeedge with one O(1)Ce3Zr tetrahedra, edges with two equivalent O(3)Ce3Zr tetrahedra, and edges with three equivalent O(2)Ce2Zr2 tetrahedra. In the sixth O site, O(6) is bonded to one Ce(1), two equivalent Ce(3), and one Zr(1) atom to form OCe3Zr tetrahedra that share  a cornercorner with one O(1)Ce3Zr tetrahedra,  a cornercorner with one O(3)Ce3Zr tetrahedra, corners with two equivalent O(2)Ce2Zr2 tetrahedra, corners with three equivalent O(6)Ce3Zr tetrahedra, corners with four equivalent O(5)Ce2Zr2 tetrahedra, corners with five equivalent O(4)Ce3Zr tetrahedra,  an edgeedge with one O(2)Ce2Zr2 tetrahedra, edges with two equivalent O(3)Ce3Zr tetrahedra, and edges with three equivalent O(1)Ce3Zr tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2ZrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.602
_cell_length_b   6.602
_cell_length_c   7.612
_cell_angle_alpha   72.885
_cell_angle_beta   72.885
_cell_angle_gamma   47.960
_symmetry_Int_Tables_number   1
_cell_volume   233.319
_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
  Ce  Ce0  1  0.833  0.167  0.500  1.0
  Ce  Ce1  1  0.839  0.161  0.000  1.0
  Ce  Ce2  1  0.497  0.836  0.668  1.0
  Ce  Ce3  1  0.164  0.503  0.332  1.0
  Zr  Zr4  1  0.503  0.836  0.163  1.0
  Zr  Zr5  1  0.164  0.497  0.837  1.0
  O  O6  1  0.727  0.594  0.399  1.0
  O  O7  1  0.401  0.236  0.069  1.0
  O  O8  1  0.088  0.885  0.749  1.0
  O  O9  1  0.582  0.403  0.243  1.0
  O  O10  1  0.243  0.081  0.910  1.0
  O  O11  1  0.907  0.748  0.579  1.0
  O  O12  1  0.597  0.418  0.757  1.0
  O  O13  1  0.252  0.093  0.421  1.0
  O  O14  1  0.919  0.757  0.090  1.0
  O  O15  1  0.764  0.599  0.931  1.0
  O  O16  1  0.406  0.273  0.601  1.0
  O  O17  1  0.115  0.912  0.251  1.0
[/CIF]
.