The crystal structure described by CeZr3O8 crystallizes in the monoclinic C2/c space group. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Zr(1) atoms to form OCe2Zr2 tetrahedra that share corners with two equivalent O(1)Ce2Zr2 tetrahedra, corners with six equivalent O(2)CeZr3 tetrahedra, corners with six equivalent O(3)CeZr3 tetrahedra,  an edgeedge with one O(2)CeZr3 tetrahedra,  an edgeedge with one O(3)CeZr3 tetrahedra, and edges with three equivalent O(1)Ce2Zr2 tetrahedra. In the second O site, O(2) is bonded to one Ce(1), one Zr(2), and two equivalent Zr(1) atoms to form distorted OCeZr3 tetrahedra that share corners with two equivalent O(2)CeZr3 tetrahedra, corners with two equivalent O(3)CeZr3 tetrahedra, corners with six equivalent O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)CeZr3 tetrahedra, and edges with three equivalent O(3)CeZr3 tetrahedra. In the third O site, O(3) is bonded to one Ce(1), one Zr(2), and two equivalent Zr(1) atoms to form distorted OCeZr3 tetrahedra that share corners with two equivalent O(2)CeZr3 tetrahedra, corners with two equivalent O(3)CeZr3 tetrahedra, corners with six equivalent O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(3)CeZr3 tetrahedra, and edges with three equivalent O(2)CeZr3 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Zr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeZr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.424
_cell_length_b   7.424
_cell_length_c   5.319
_cell_angle_alpha   89.359
_cell_angle_beta   89.359
_cell_angle_gamma   90.364
_symmetry_Int_Tables_number   1
_cell_volume   293.091
_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  0.630  0.370  0.750  1.0
  Ce  Ce1  1  0.370  0.630  0.250  1.0
  Zr  Zr2  1  0.622  0.876  0.748  1.0
  Zr  Zr3  1  0.378  0.124  0.252  1.0
  Zr  Zr4  1  0.124  0.378  0.752  1.0
  Zr  Zr5  1  0.876  0.622  0.248  1.0
  Zr  Zr6  1  0.119  0.881  0.750  1.0
  Zr  Zr7  1  0.881  0.119  0.250  1.0
  O  O8  1  0.378  0.357  0.025  1.0
  O  O9  1  0.622  0.643  0.975  1.0
  O  O10  1  0.643  0.622  0.475  1.0
  O  O11  1  0.357  0.378  0.525  1.0
  O  O12  1  0.355  0.895  0.031  1.0
  O  O13  1  0.645  0.105  0.969  1.0
  O  O14  1  0.618  0.132  0.452  1.0
  O  O15  1  0.382  0.868  0.548  1.0
  O  O16  1  0.868  0.382  0.048  1.0
  O  O17  1  0.132  0.618  0.952  1.0
  O  O18  1  0.105  0.645  0.469  1.0
  O  O19  1  0.895  0.355  0.531  1.0
  O  O20  1  0.902  0.866  0.060  1.0
  O  O21  1  0.098  0.134  0.940  1.0
  O  O22  1  0.134  0.098  0.440  1.0
  O  O23  1  0.866  0.902  0.560  1.0
[/CIF]
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The crystal structure described by CeZr3O8 crystallizes in the monoclinic C2/c space group. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Zr(1) atoms to form OCe2Zr2 tetrahedra that share corners with two equivalent O(1)Ce2Zr2 tetrahedra, corners with six equivalent O(2)CeZr3 tetrahedra, corners with six equivalent O(3)CeZr3 tetrahedra,  an edgeedge with one O(2)CeZr3 tetrahedra,  an edgeedge with one O(3)CeZr3 tetrahedra, and edges with three equivalent O(1)Ce2Zr2 tetrahedra. In the second O site, O(2) is bonded to one Ce(1), one Zr(2), and two equivalent Zr(1) atoms to form distorted OCeZr3 tetrahedra that share corners with two equivalent O(2)CeZr3 tetrahedra, corners with two equivalent O(3)CeZr3 tetrahedra, corners with six equivalent O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)CeZr3 tetrahedra, and edges with three equivalent O(3)CeZr3 tetrahedra. In the third O site, O(3) is bonded to one Ce(1), one Zr(2), and two equivalent Zr(1) atoms to form distorted OCeZr3 tetrahedra that share corners with two equivalent O(2)CeZr3 tetrahedra, corners with two equivalent O(3)CeZr3 tetrahedra, corners with six equivalent O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(3)CeZr3 tetrahedra, and edges with three equivalent O(2)CeZr3 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Zr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeZr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.424
_cell_length_b   7.424
_cell_length_c   5.319
_cell_angle_alpha   89.359
_cell_angle_beta   89.359
_cell_angle_gamma   90.364
_symmetry_Int_Tables_number   1
_cell_volume   293.091
_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  0.630  0.370  0.750  1.0
  Ce  Ce1  1  0.370  0.630  0.250  1.0
  Zr  Zr2  1  0.622  0.876  0.748  1.0
  Zr  Zr3  1  0.378  0.124  0.252  1.0
  Zr  Zr4  1  0.124  0.378  0.752  1.0
  Zr  Zr5  1  0.876  0.622  0.248  1.0
  Zr  Zr6  1  0.119  0.881  0.750  1.0
  Zr  Zr7  1  0.881  0.119  0.250  1.0
  O  O8  1  0.378  0.357  0.025  1.0
  O  O9  1  0.622  0.643  0.975  1.0
  O  O10  1  0.643  0.622  0.475  1.0
  O  O11  1  0.357  0.378  0.525  1.0
  O  O12  1  0.355  0.895  0.031  1.0
  O  O13  1  0.645  0.105  0.969  1.0
  O  O14  1  0.618  0.132  0.452  1.0
  O  O15  1  0.382  0.868  0.548  1.0
  O  O16  1  0.868  0.382  0.048  1.0
  O  O17  1  0.132  0.618  0.952  1.0
  O  O18  1  0.105  0.645  0.469  1.0
  O  O19  1  0.895  0.355  0.531  1.0
  O  O20  1  0.902  0.866  0.060  1.0
  O  O21  1  0.098  0.134  0.940  1.0
  O  O22  1  0.134  0.098  0.440  1.0
  O  O23  1  0.866  0.902  0.560  1.0
[/CIF]
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