The structure described by CeZr3O8 crystallizes in the orthorhombic Amm2 space group. Ce(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), 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 distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Zr(2) atoms to form OCe2Zr2 tetrahedra that share corners with two equivalent O(1)Ce2Zr2 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with four equivalent O(5)Ce2Zr2 tetrahedra, corners with eight equivalent O(4)CeZr3 tetrahedra,  an edgeedge with one O(5)Ce2Zr2 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and edges with four equivalent O(3)CeZr3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent O(1)Ce2Zr2 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with four equivalent O(6)Zr4 tetrahedra, corners with eight equivalent O(4)CeZr3 tetrahedra,  an edgeedge with one O(5)Ce2Zr2 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and edges with four equivalent O(3)CeZr3 tetrahedra. In the third O site, O(3) is bonded to one Ce(1), one Zr(1), and two equivalent Zr(2) atoms to form distorted OCeZr3 tetrahedra that share corners with four equivalent O(5)Ce2Zr2 tetrahedra, corners with four equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(4)CeZr3 tetrahedra, corners with four equivalent O(6)Zr4 tetrahedra, edges with two equivalent O(1)Ce2Zr2 tetrahedra, edges with two equivalent O(4)CeZr3 tetrahedra, and edges with two equivalent O(2)Zr4 tetrahedra. In the fourth O site, O(4) is bonded to one Ce(1), one Zr(1), and two equivalent Zr(2) atoms to form OCeZr3 tetrahedra that share corners with four equivalent O(1)Ce2Zr2 tetrahedra, corners with four equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(4)CeZr3 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, edges with two equivalent O(5)Ce2Zr2 tetrahedra, edges with two equivalent O(3)CeZr3 tetrahedra, and edges with two equivalent O(6)Zr4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Ce(1) and two equivalent Zr(2) atoms to form distorted OCe2Zr2 tetrahedra that share corners with two equivalent O(5)Ce2Zr2 tetrahedra, corners with two equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(1)Ce2Zr2 tetrahedra, corners with eight equivalent O(3)CeZr3 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(4)CeZr3 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent O(5)Ce2Zr2 tetrahedra, corners with two equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(3)CeZr3 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(4)CeZr3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeZr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   6.521
_cell_length_c   3.707
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.998
_symmetry_Int_Tables_number   1
_cell_volume   147.191
_cell_formula_units_Z   1
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  0.502  0.498  0.500  1.0
  Zr  Zr1  1  0.998  0.002  0.500  1.0
  Zr  Zr2  1  0.494  0.995  0.000  1.0
  Zr  Zr3  1  0.005  0.506  0.000  1.0
  O  O4  1  0.388  0.612  0.000  1.0
  O  O5  1  0.906  0.094  0.000  1.0
  O  O6  1  0.088  0.395  0.500  1.0
  O  O7  1  0.605  0.912  0.500  1.0
  O  O8  1  0.343  0.136  0.500  1.0
  O  O9  1  0.864  0.657  0.500  1.0
  O  O10  1  0.654  0.346  0.000  1.0
  O  O11  1  0.152  0.848  0.000  1.0
[/CIF]
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The structure described by CeZr3O8 crystallizes in the orthorhombic Amm2 space group. Ce(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), 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 distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Zr(2) atoms to form OCe2Zr2 tetrahedra that share corners with two equivalent O(1)Ce2Zr2 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with four equivalent O(5)Ce2Zr2 tetrahedra, corners with eight equivalent O(4)CeZr3 tetrahedra,  an edgeedge with one O(5)Ce2Zr2 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and edges with four equivalent O(3)CeZr3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent O(1)Ce2Zr2 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with four equivalent O(6)Zr4 tetrahedra, corners with eight equivalent O(4)CeZr3 tetrahedra,  an edgeedge with one O(5)Ce2Zr2 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and edges with four equivalent O(3)CeZr3 tetrahedra. In the third O site, O(3) is bonded to one Ce(1), one Zr(1), and two equivalent Zr(2) atoms to form distorted OCeZr3 tetrahedra that share corners with four equivalent O(5)Ce2Zr2 tetrahedra, corners with four equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(4)CeZr3 tetrahedra, corners with four equivalent O(6)Zr4 tetrahedra, edges with two equivalent O(1)Ce2Zr2 tetrahedra, edges with two equivalent O(4)CeZr3 tetrahedra, and edges with two equivalent O(2)Zr4 tetrahedra. In the fourth O site, O(4) is bonded to one Ce(1), one Zr(1), and two equivalent Zr(2) atoms to form OCeZr3 tetrahedra that share corners with four equivalent O(1)Ce2Zr2 tetrahedra, corners with four equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(4)CeZr3 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, edges with two equivalent O(5)Ce2Zr2 tetrahedra, edges with two equivalent O(3)CeZr3 tetrahedra, and edges with two equivalent O(6)Zr4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Ce(1) and two equivalent Zr(2) atoms to form distorted OCe2Zr2 tetrahedra that share corners with two equivalent O(5)Ce2Zr2 tetrahedra, corners with two equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(1)Ce2Zr2 tetrahedra, corners with eight equivalent O(3)CeZr3 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(4)CeZr3 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent O(5)Ce2Zr2 tetrahedra, corners with two equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(3)CeZr3 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(4)CeZr3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeZr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   6.521
_cell_length_c   3.707
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.998
_symmetry_Int_Tables_number   1
_cell_volume   147.191
_cell_formula_units_Z   1
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  0.502  0.498  0.500  1.0
  Zr  Zr1  1  0.998  0.002  0.500  1.0
  Zr  Zr2  1  0.494  0.995  0.000  1.0
  Zr  Zr3  1  0.005  0.506  0.000  1.0
  O  O4  1  0.388  0.612  0.000  1.0
  O  O5  1  0.906  0.094  0.000  1.0
  O  O6  1  0.088  0.395  0.500  1.0
  O  O7  1  0.605  0.912  0.500  1.0
  O  O8  1  0.343  0.136  0.500  1.0
  O  O9  1  0.864  0.657  0.500  1.0
  O  O10  1  0.654  0.346  0.000  1.0
  O  O11  1  0.152  0.848  0.000  1.0
[/CIF]
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