The structure described by UTh2ZrO8 is Fluorite-derived structured and crystallizes in the tetragonal P4mm space group. U(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form OTh4 tetrahedra that share corners with four equivalent O(1)Th4 tetrahedra, corners with six equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(2)Th2Zr2 tetrahedra,  an edgeedge with one O(4)Th2U2 tetrahedra,  an edgeedge with one O(2)Th2Zr2 tetrahedra, and edges with four equivalent O(1)Th4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(2) and two equivalent Zr(1) atoms to form OTh2Zr2 tetrahedra that share corners with four equivalent O(2)Th2Zr2 tetrahedra, corners with six equivalent O(1)Th4 tetrahedra, corners with six equivalent O(3)Zr2U2 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(3)Zr2U2 tetrahedra, and edges with four equivalent O(2)Th2Zr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent U(1) and two equivalent Zr(1) atoms to form OZr2U2 tetrahedra that share corners with four equivalent O(3)Zr2U2 tetrahedra, corners with six equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(2)Th2Zr2 tetrahedra,  an edgeedge with one O(4)Th2U2 tetrahedra,  an edgeedge with one O(2)Th2Zr2 tetrahedra, and edges with four equivalent O(3)Zr2U2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent U(1) and two equivalent Th(1) atoms to form OTh2U2 tetrahedra that share corners with four equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(1)Th4 tetrahedra, corners with six equivalent O(3)Zr2U2 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(3)Zr2U2 tetrahedra, and edges with four equivalent O(4)Th2U2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th2ZrUO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.859
_cell_length_b   3.859
_cell_length_c   10.937
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.856
_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
  Th  Th0  1  0.000  0.000  0.496  1.0
  Th  Th1  1  0.500  0.500  0.759  1.0
  Zr  Zr2  1  0.000  0.000  0.003  1.0
  U  U3  1  0.500  0.500  0.240  1.0
  O  O4  1  0.000  0.500  0.627  1.0
  O  O5  1  0.500  0.000  0.889  1.0
  O  O6  1  0.000  0.500  0.119  1.0
  O  O7  1  0.500  0.000  0.365  1.0
  O  O8  1  0.000  0.500  0.889  1.0
  O  O9  1  0.500  0.000  0.119  1.0
  O  O10  1  0.000  0.500  0.365  1.0
  O  O11  1  0.500  0.000  0.627  1.0
[/CIF]
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The structure described by UTh2ZrO8 is Fluorite-derived structured and crystallizes in the tetragonal P4mm space group. U(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form OTh4 tetrahedra that share corners with four equivalent O(1)Th4 tetrahedra, corners with six equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(2)Th2Zr2 tetrahedra,  an edgeedge with one O(4)Th2U2 tetrahedra,  an edgeedge with one O(2)Th2Zr2 tetrahedra, and edges with four equivalent O(1)Th4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(2) and two equivalent Zr(1) atoms to form OTh2Zr2 tetrahedra that share corners with four equivalent O(2)Th2Zr2 tetrahedra, corners with six equivalent O(1)Th4 tetrahedra, corners with six equivalent O(3)Zr2U2 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(3)Zr2U2 tetrahedra, and edges with four equivalent O(2)Th2Zr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent U(1) and two equivalent Zr(1) atoms to form OZr2U2 tetrahedra that share corners with four equivalent O(3)Zr2U2 tetrahedra, corners with six equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(2)Th2Zr2 tetrahedra,  an edgeedge with one O(4)Th2U2 tetrahedra,  an edgeedge with one O(2)Th2Zr2 tetrahedra, and edges with four equivalent O(3)Zr2U2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent U(1) and two equivalent Th(1) atoms to form OTh2U2 tetrahedra that share corners with four equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(1)Th4 tetrahedra, corners with six equivalent O(3)Zr2U2 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(3)Zr2U2 tetrahedra, and edges with four equivalent O(4)Th2U2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th2ZrUO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.859
_cell_length_b   3.859
_cell_length_c   10.937
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.856
_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
  Th  Th0  1  0.000  0.000  0.496  1.0
  Th  Th1  1  0.500  0.500  0.759  1.0
  Zr  Zr2  1  0.000  0.000  0.003  1.0
  U  U3  1  0.500  0.500  0.240  1.0
  O  O4  1  0.000  0.500  0.627  1.0
  O  O5  1  0.500  0.000  0.889  1.0
  O  O6  1  0.000  0.500  0.119  1.0
  O  O7  1  0.500  0.000  0.365  1.0
  O  O8  1  0.000  0.500  0.889  1.0
  O  O9  1  0.500  0.000  0.119  1.0
  O  O10  1  0.000  0.500  0.365  1.0
  O  O11  1  0.500  0.000  0.627  1.0
[/CIF]
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