The crystal structure described by Cs2U2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to eight equivalent O(1) atoms to form distorted CsO8 hexagonal bipyramids that share corners with eight equivalent Cs(2)O12 cuboctahedra, edges with four equivalent Cs(1)O8 hexagonal bipyramids, edges with eight equivalent U(1)O5 square pyramids, and faces with two equivalent Cs(2)O12 cuboctahedra. In the second Cs site, Cs(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form CsO12 cuboctahedra that share corners with four equivalent Cs(2)O12 cuboctahedra, corners with eight equivalent Cs(1)O8 hexagonal bipyramids, faces with four equivalent Cs(2)O12 cuboctahedra, faces with two equivalent Cs(1)O8 hexagonal bipyramids, and faces with eight equivalent U(1)O5 square pyramids. U(1) is bonded to one O(2) and four equivalent O(1) atoms to form UO5 square pyramids that share corners with five equivalent U(1)O5 square pyramids, edges with four equivalent Cs(1)O8 hexagonal bipyramids, and faces with four equivalent Cs(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent U(1) atoms. In the second O site, O(2) is bonded to four equivalent Cs(2) and two equivalent U(1) atoms to form a mixture of distorted edge and corner-sharing OCs4U2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Cs2U2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.377
_cell_length_b   4.377
_cell_length_c   9.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.181
_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  0.000  0.000  0.000  1.0
  Cs  Cs1  1  0.000  0.000  0.500  1.0
  U  U2  1  0.500  0.500  0.274  1.0
  U  U3  1  0.500  0.500  0.726  1.0
  O  O4  1  0.500  0.000  0.243  1.0
  O  O5  1  0.500  0.000  0.757  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.243  1.0
  O  O8  1  0.000  0.500  0.757  1.0
[/CIF]
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The crystal structure described by Cs2U2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to eight equivalent O(1) atoms to form distorted CsO8 hexagonal bipyramids that share corners with eight equivalent Cs(2)O12 cuboctahedra, edges with four equivalent Cs(1)O8 hexagonal bipyramids, edges with eight equivalent U(1)O5 square pyramids, and faces with two equivalent Cs(2)O12 cuboctahedra. In the second Cs site, Cs(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form CsO12 cuboctahedra that share corners with four equivalent Cs(2)O12 cuboctahedra, corners with eight equivalent Cs(1)O8 hexagonal bipyramids, faces with four equivalent Cs(2)O12 cuboctahedra, faces with two equivalent Cs(1)O8 hexagonal bipyramids, and faces with eight equivalent U(1)O5 square pyramids. U(1) is bonded to one O(2) and four equivalent O(1) atoms to form UO5 square pyramids that share corners with five equivalent U(1)O5 square pyramids, edges with four equivalent Cs(1)O8 hexagonal bipyramids, and faces with four equivalent Cs(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent U(1) atoms. In the second O site, O(2) is bonded to four equivalent Cs(2) and two equivalent U(1) atoms to form a mixture of distorted edge and corner-sharing OCs4U2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Cs2U2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.377
_cell_length_b   4.377
_cell_length_c   9.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.181
_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  0.000  0.000  0.000  1.0
  Cs  Cs1  1  0.000  0.000  0.500  1.0
  U  U2  1  0.500  0.500  0.274  1.0
  U  U3  1  0.500  0.500  0.726  1.0
  O  O4  1  0.500  0.000  0.243  1.0
  O  O5  1  0.500  0.000  0.757  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.243  1.0
  O  O8  1  0.000  0.500  0.757  1.0
[/CIF]
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