The material structure described by Cs2U2O7 crystallizes in the monoclinic C2 space group. Cs(1) is bonded in a 8-coordinate geometry to one O(4), three equivalent O(1), and four equivalent O(3) atoms. U(1) is bonded to one O(1), one O(3), one O(4), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one U(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent U(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one U(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent U(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2U2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.332
_cell_length_b   7.604
_cell_length_c   7.753
_cell_angle_alpha   111.485
_cell_angle_beta   90.000
_cell_angle_gamma   73.449
_symmetry_Int_Tables_number   1
_cell_volume   226.229
_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
  Cs  Cs0  1  0.613  0.784  0.570  1.0
  Cs  Cs1  1  0.397  0.216  0.430  1.0
  U  U2  1  0.829  0.291  0.993  1.0
  U  U3  1  0.121  0.709  0.007  1.0
  O  O4  1  0.797  0.387  0.255  1.0
  O  O5  1  0.184  0.613  0.745  1.0
  O  O6  1  0.671  0.616  0.004  1.0
  O  O7  1  0.288  0.384  0.996  1.0
  O  O8  1  0.075  0.824  0.270  1.0
  O  O9  1  0.898  0.176  0.730  1.0
  O  O10  1  0.887  0.000  0.000  1.0
[/CIF]
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The material structure described by Cs2U2O7 crystallizes in the monoclinic C2 space group. Cs(1) is bonded in a 8-coordinate geometry to one O(4), three equivalent O(1), and four equivalent O(3) atoms. U(1) is bonded to one O(1), one O(3), one O(4), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one U(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent U(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one U(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent U(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2U2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.332
_cell_length_b   7.604
_cell_length_c   7.753
_cell_angle_alpha   111.485
_cell_angle_beta   90.000
_cell_angle_gamma   73.449
_symmetry_Int_Tables_number   1
_cell_volume   226.229
_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
  Cs  Cs0  1  0.613  0.784  0.570  1.0
  Cs  Cs1  1  0.397  0.216  0.430  1.0
  U  U2  1  0.829  0.291  0.993  1.0
  U  U3  1  0.121  0.709  0.007  1.0
  O  O4  1  0.797  0.387  0.255  1.0
  O  O5  1  0.184  0.613  0.745  1.0
  O  O6  1  0.671  0.616  0.004  1.0
  O  O7  1  0.288  0.384  0.996  1.0
  O  O8  1  0.075  0.824  0.270  1.0
  O  O9  1  0.898  0.176  0.730  1.0
  O  O10  1  0.887  0.000  0.000  1.0
[/CIF]
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