The material described by Ce7ZrO16 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the third Ce site, Ce(3) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Zr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ce(2), two equivalent Ce(1), and one Zr(1) atom to form OCe3Zr tetrahedra that share corners with eight equivalent O(1)Ce3Zr tetrahedra, corners with eight equivalent O(2)Ce4 tetrahedra, edges with two equivalent O(2)Ce4 tetrahedra, and edges with four equivalent O(1)Ce3Zr tetrahedra. In the second O site, O(2) is bonded to one Ce(2), one Ce(3), and two equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with eight equivalent O(1)Ce3Zr tetrahedra, corners with eight equivalent O(2)Ce4 tetrahedra, edges with two equivalent O(1)Ce3Zr tetrahedra, and edges with four equivalent O(2)Ce4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce7ZrO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.680
_cell_length_b   7.680
_cell_length_c   5.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.021
_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  0.247  0.247  0.500  1.0
  Ce  Ce1  1  0.500  0.000  0.000  1.0
  Ce  Ce2  1  0.753  0.247  0.500  1.0
  Ce  Ce3  1  0.000  0.500  0.000  1.0
  Ce  Ce4  1  0.247  0.753  0.500  1.0
  Ce  Ce5  1  0.500  0.500  0.000  1.0
  Ce  Ce6  1  0.753  0.753  0.500  1.0
  Zr  Zr7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.000  0.242  0.243  1.0
  O  O9  1  0.242  0.000  0.243  1.0
  O  O10  1  0.242  0.000  0.757  1.0
  O  O11  1  0.000  0.242  0.757  1.0
  O  O12  1  0.500  0.248  0.251  1.0
  O  O13  1  0.758  0.000  0.243  1.0
  O  O14  1  0.758  0.000  0.757  1.0
  O  O15  1  0.500  0.248  0.749  1.0
  O  O16  1  0.000  0.758  0.243  1.0
  O  O17  1  0.248  0.500  0.251  1.0
  O  O18  1  0.248  0.500  0.749  1.0
  O  O19  1  0.000  0.758  0.757  1.0
  O  O20  1  0.500  0.752  0.251  1.0
  O  O21  1  0.752  0.500  0.251  1.0
  O  O22  1  0.752  0.500  0.749  1.0
  O  O23  1  0.500  0.752  0.749  1.0
[/CIF]
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The material described by Ce7ZrO16 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the third Ce site, Ce(3) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Zr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ce(2), two equivalent Ce(1), and one Zr(1) atom to form OCe3Zr tetrahedra that share corners with eight equivalent O(1)Ce3Zr tetrahedra, corners with eight equivalent O(2)Ce4 tetrahedra, edges with two equivalent O(2)Ce4 tetrahedra, and edges with four equivalent O(1)Ce3Zr tetrahedra. In the second O site, O(2) is bonded to one Ce(2), one Ce(3), and two equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with eight equivalent O(1)Ce3Zr tetrahedra, corners with eight equivalent O(2)Ce4 tetrahedra, edges with two equivalent O(1)Ce3Zr tetrahedra, and edges with four equivalent O(2)Ce4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce7ZrO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.680
_cell_length_b   7.680
_cell_length_c   5.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.021
_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  0.247  0.247  0.500  1.0
  Ce  Ce1  1  0.500  0.000  0.000  1.0
  Ce  Ce2  1  0.753  0.247  0.500  1.0
  Ce  Ce3  1  0.000  0.500  0.000  1.0
  Ce  Ce4  1  0.247  0.753  0.500  1.0
  Ce  Ce5  1  0.500  0.500  0.000  1.0
  Ce  Ce6  1  0.753  0.753  0.500  1.0
  Zr  Zr7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.000  0.242  0.243  1.0
  O  O9  1  0.242  0.000  0.243  1.0
  O  O10  1  0.242  0.000  0.757  1.0
  O  O11  1  0.000  0.242  0.757  1.0
  O  O12  1  0.500  0.248  0.251  1.0
  O  O13  1  0.758  0.000  0.243  1.0
  O  O14  1  0.758  0.000  0.757  1.0
  O  O15  1  0.500  0.248  0.749  1.0
  O  O16  1  0.000  0.758  0.243  1.0
  O  O17  1  0.248  0.500  0.251  1.0
  O  O18  1  0.248  0.500  0.749  1.0
  O  O19  1  0.000  0.758  0.757  1.0
  O  O20  1  0.500  0.752  0.251  1.0
  O  O21  1  0.752  0.500  0.251  1.0
  O  O22  1  0.752  0.500  0.749  1.0
  O  O23  1  0.500  0.752  0.749  1.0
[/CIF]
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