The material structure described by UCd3O6 crystallizes in the monoclinic P2_1/c space group. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with six equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CdO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one U(1), one Cd(1), and two equivalent Cd(2) atoms to form distorted corner-sharing OUCd3 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one U(1), one Cd(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one U(1), one Cd(1), and one Cd(2) atom. is represented by the CIF card [CIF]
data_UCd3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.790
_cell_length_b   5.651
_cell_length_c   10.028
_cell_angle_alpha   56.213
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.657
_cell_formula_units_Z   2
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  0.500  0.000  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.955  0.252  0.246  1.0
  Cd  Cd4  1  0.455  0.748  0.254  1.0
  Cd  Cd5  1  0.000  0.500  0.500  1.0
  Cd  Cd6  1  0.545  0.252  0.746  1.0
  Cd  Cd7  1  0.045  0.748  0.754  1.0
  O  O8  1  0.417  0.641  0.738  1.0
  O  O9  1  0.199  0.917  0.423  1.0
  O  O10  1  0.170  0.251  0.058  1.0
  O  O11  1  0.670  0.749  0.442  1.0
  O  O12  1  0.699  0.083  0.077  1.0
  O  O13  1  0.917  0.359  0.762  1.0
  O  O14  1  0.083  0.641  0.238  1.0
  O  O15  1  0.301  0.917  0.923  1.0
  O  O16  1  0.330  0.251  0.558  1.0
  O  O17  1  0.830  0.749  0.942  1.0
  O  O18  1  0.801  0.083  0.577  1.0
  O  O19  1  0.583  0.359  0.262  1.0
[/CIF]
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The material structure described by UCd3O6 crystallizes in the monoclinic P2_1/c space group. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with six equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CdO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one U(1), one Cd(1), and two equivalent Cd(2) atoms to form distorted corner-sharing OUCd3 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one U(1), one Cd(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one U(1), one Cd(1), and one Cd(2) atom. is represented by the CIF card [CIF]
data_UCd3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.790
_cell_length_b   5.651
_cell_length_c   10.028
_cell_angle_alpha   56.213
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.657
_cell_formula_units_Z   2
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  0.500  0.000  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.955  0.252  0.246  1.0
  Cd  Cd4  1  0.455  0.748  0.254  1.0
  Cd  Cd5  1  0.000  0.500  0.500  1.0
  Cd  Cd6  1  0.545  0.252  0.746  1.0
  Cd  Cd7  1  0.045  0.748  0.754  1.0
  O  O8  1  0.417  0.641  0.738  1.0
  O  O9  1  0.199  0.917  0.423  1.0
  O  O10  1  0.170  0.251  0.058  1.0
  O  O11  1  0.670  0.749  0.442  1.0
  O  O12  1  0.699  0.083  0.077  1.0
  O  O13  1  0.917  0.359  0.762  1.0
  O  O14  1  0.083  0.641  0.238  1.0
  O  O15  1  0.301  0.917  0.923  1.0
  O  O16  1  0.330  0.251  0.558  1.0
  O  O17  1  0.830  0.749  0.942  1.0
  O  O18  1  0.801  0.083  0.577  1.0
  O  O19  1  0.583  0.359  0.262  1.0
[/CIF]
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