The compound described by UO2ZrO2 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. U(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent U(1) and one Zr(1) atom to form OZrU3 tetrahedra that share corners with six equivalent O(2)Zr3U tetrahedra, corners with ten equivalent O(1)ZrU3 tetrahedra, edges with three equivalent O(2)Zr3U tetrahedra, and edges with three equivalent O(1)ZrU3 tetrahedra. In the second O site, O(2) is bonded to one U(1) and three equivalent Zr(1) atoms to form OZr3U tetrahedra that share corners with six equivalent O(1)ZrU3 tetrahedra, corners with ten equivalent O(2)Zr3U tetrahedra, edges with three equivalent O(2)Zr3U tetrahedra, and edges with three equivalent O(1)ZrU3 tetrahedra. is represented by the CIF file [CIF]
data_ZrUO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.450
_cell_length_b   6.450
_cell_length_c   6.450
_cell_angle_alpha   33.833
_cell_angle_beta   33.833
_cell_angle_gamma   33.833
_symmetry_Int_Tables_number   1
_cell_volume   74.137
_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
  Zr  Zr0  1  0.500  0.500  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.622  0.622  0.622  1.0
  O  O3  1  0.129  0.129  0.129  1.0
  O  O4  1  0.871  0.871  0.871  1.0
  O  O5  1  0.378  0.378  0.378  1.0
[/CIF]
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The compound described by UO2ZrO2 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. U(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent U(1) and one Zr(1) atom to form OZrU3 tetrahedra that share corners with six equivalent O(2)Zr3U tetrahedra, corners with ten equivalent O(1)ZrU3 tetrahedra, edges with three equivalent O(2)Zr3U tetrahedra, and edges with three equivalent O(1)ZrU3 tetrahedra. In the second O site, O(2) is bonded to one U(1) and three equivalent Zr(1) atoms to form OZr3U tetrahedra that share corners with six equivalent O(1)ZrU3 tetrahedra, corners with ten equivalent O(2)Zr3U tetrahedra, edges with three equivalent O(2)Zr3U tetrahedra, and edges with three equivalent O(1)ZrU3 tetrahedra. is represented by the CIF file [CIF]
data_ZrUO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.450
_cell_length_b   6.450
_cell_length_c   6.450
_cell_angle_alpha   33.833
_cell_angle_beta   33.833
_cell_angle_gamma   33.833
_symmetry_Int_Tables_number   1
_cell_volume   74.137
_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
  Zr  Zr0  1  0.500  0.500  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.622  0.622  0.622  1.0
  O  O3  1  0.129  0.129  0.129  1.0
  O  O4  1  0.871  0.871  0.871  1.0
  O  O5  1  0.378  0.378  0.378  1.0
[/CIF]
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