The crystal structure described by CsU2O6 crystallizes in the trigonal R-3m space group. Cs(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CsO6 octahedra that share corners with three equivalent U(1)O6 octahedra and corners with nine equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-70°. There are two inequivalent U sites. In the first U site, U(1) is bonded to six equivalent O(1) atoms to form UO6 octahedra that share corners with six equivalent Cs(1)O6 octahedra and corners with six equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-69°. In the second U site, U(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form UO6 octahedra that share corners with two equivalent U(1)O6 octahedra, corners with four equivalent U(2)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one U(1), and one U(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent U(2) atoms. is represented by the CIF card [CIF]
data_CsU2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.858
_cell_length_b   7.866
_cell_length_c   7.851
_cell_angle_alpha   60.059
_cell_angle_beta   60.022
_cell_angle_gamma   60.040
_symmetry_Int_Tables_number   1
_cell_volume   343.457
_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
  Cs  Cs0  1  0.625  0.625  0.625  1.0
  Cs  Cs1  1  0.375  0.375  0.375  1.0
  U  U2  1  0.000  0.500  0.000  1.0
  U  U3  1  0.500  1.000  1.000  1.0
  U  U4  1  1.000  0.000  0.500  1.0
  U  U5  1  0.000  0.000  1.000  1.0
  O  O6  1  0.315  0.317  0.934  1.0
  O  O7  1  0.066  0.067  0.683  1.0
  O  O8  1  0.934  0.317  0.314  1.0
  O  O9  1  0.316  0.934  0.316  1.0
  O  O10  1  0.934  0.317  0.934  1.0
  O  O11  1  0.316  0.934  0.934  1.0
  O  O12  1  0.934  0.933  0.317  1.0
  O  O13  1  0.066  0.683  0.686  1.0
  O  O14  1  0.684  0.066  0.066  1.0
  O  O15  1  0.066  0.683  0.066  1.0
  O  O16  1  0.684  0.066  0.684  1.0
  O  O17  1  0.685  0.683  0.066  1.0
[/CIF]
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The crystal structure described by CsU2O6 crystallizes in the trigonal R-3m space group. Cs(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CsO6 octahedra that share corners with three equivalent U(1)O6 octahedra and corners with nine equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-70°. There are two inequivalent U sites. In the first U site, U(1) is bonded to six equivalent O(1) atoms to form UO6 octahedra that share corners with six equivalent Cs(1)O6 octahedra and corners with six equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-69°. In the second U site, U(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form UO6 octahedra that share corners with two equivalent U(1)O6 octahedra, corners with four equivalent U(2)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one U(1), and one U(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent U(2) atoms. is represented by the CIF card [CIF]
data_CsU2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.858
_cell_length_b   7.866
_cell_length_c   7.851
_cell_angle_alpha   60.059
_cell_angle_beta   60.022
_cell_angle_gamma   60.040
_symmetry_Int_Tables_number   1
_cell_volume   343.457
_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
  Cs  Cs0  1  0.625  0.625  0.625  1.0
  Cs  Cs1  1  0.375  0.375  0.375  1.0
  U  U2  1  0.000  0.500  0.000  1.0
  U  U3  1  0.500  1.000  1.000  1.0
  U  U4  1  1.000  0.000  0.500  1.0
  U  U5  1  0.000  0.000  1.000  1.0
  O  O6  1  0.315  0.317  0.934  1.0
  O  O7  1  0.066  0.067  0.683  1.0
  O  O8  1  0.934  0.317  0.314  1.0
  O  O9  1  0.316  0.934  0.316  1.0
  O  O10  1  0.934  0.317  0.934  1.0
  O  O11  1  0.316  0.934  0.934  1.0
  O  O12  1  0.934  0.933  0.317  1.0
  O  O13  1  0.066  0.683  0.686  1.0
  O  O14  1  0.684  0.066  0.066  1.0
  O  O15  1  0.066  0.683  0.066  1.0
  O  O16  1  0.684  0.066  0.684  1.0
  O  O17  1  0.685  0.683  0.066  1.0
[/CIF]
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