The material described by Bi2UO6 crystallizes in the trigonal P-3m1 space group. U(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(3) atoms. Bi(1) is bonded in a distorted body-centered cubic geometry to one O(3), three equivalent O(1), and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one U(1) and three equivalent Bi(1) atoms. In the second O site, O(2) is bonded to four equivalent Bi(1) atoms to form OBi4 tetrahedra that share corners with four equivalent O(3)U3Bi tetrahedra, corners with six equivalent O(2)Bi4 tetrahedra, and edges with three equivalent O(2)Bi4 tetrahedra. In the third O site, O(3) is bonded to three equivalent U(1) and one Bi(1) atom to form distorted OU3Bi tetrahedra that share corners with four equivalent O(2)Bi4 tetrahedra, corners with nine equivalent O(3)U3Bi tetrahedra, and edges with three equivalent O(3)U3Bi tetrahedra. is represented by the CIF card [CIF]
data_U(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.893
_cell_length_b   3.893
_cell_length_c   9.474
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.995
_symmetry_Int_Tables_number   1
_cell_volume   124.362
_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
  U  U0  1  0.974  0.026  0.000  1.0
  Bi  Bi1  1  0.308  0.359  0.341  1.0
  Bi  Bi2  1  0.641  0.692  0.659  1.0
  O  O3  1  0.974  0.026  0.210  1.0
  O  O4  1  0.974  0.026  0.790  1.0
  O  O5  1  0.308  0.359  0.585  1.0
  O  O6  1  0.640  0.693  0.947  1.0
  O  O7  1  0.307  0.360  0.053  1.0
  O  O8  1  0.641  0.692  0.415  1.0
[/CIF]
.
The material described by Bi2UO6 crystallizes in the trigonal P-3m1 space group. U(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(3) atoms. Bi(1) is bonded in a distorted body-centered cubic geometry to one O(3), three equivalent O(1), and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one U(1) and three equivalent Bi(1) atoms. In the second O site, O(2) is bonded to four equivalent Bi(1) atoms to form OBi4 tetrahedra that share corners with four equivalent O(3)U3Bi tetrahedra, corners with six equivalent O(2)Bi4 tetrahedra, and edges with three equivalent O(2)Bi4 tetrahedra. In the third O site, O(3) is bonded to three equivalent U(1) and one Bi(1) atom to form distorted OU3Bi tetrahedra that share corners with four equivalent O(2)Bi4 tetrahedra, corners with nine equivalent O(3)U3Bi tetrahedra, and edges with three equivalent O(3)U3Bi tetrahedra. is represented by the CIF card [CIF]
data_U(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.893
_cell_length_b   3.893
_cell_length_c   9.474
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.995
_symmetry_Int_Tables_number   1
_cell_volume   124.362
_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
  U  U0  1  0.974  0.026  0.000  1.0
  Bi  Bi1  1  0.308  0.359  0.341  1.0
  Bi  Bi2  1  0.641  0.692  0.659  1.0
  O  O3  1  0.974  0.026  0.210  1.0
  O  O4  1  0.974  0.026  0.790  1.0
  O  O5  1  0.308  0.359  0.585  1.0
  O  O6  1  0.640  0.693  0.947  1.0
  O  O7  1  0.307  0.360  0.053  1.0
  O  O8  1  0.641  0.692  0.415  1.0
[/CIF]
.