The material described by Cs2U(OBr2)2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent Br(1), and four equivalent Br(2) atoms. U(1) is bonded in a distorted linear geometry to two equivalent O(1), two equivalent Br(1), and two equivalent Br(2) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one U(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one U(1) atom. In the second Br site, Br(2) is bonded to four equivalent Cs(1) and one U(1) atom to form a mixture of distorted corner and edge-sharing BrCs4U trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2U(Br2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.025
_cell_length_b   6.688
_cell_length_c   10.161
_cell_angle_alpha   74.882
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   657.654
_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  0.882  0.320  0.335  1.0
  Cs  Cs1  1  0.118  0.680  0.665  1.0
  Cs  Cs2  1  0.382  0.680  0.165  1.0
  Cs  Cs3  1  0.618  0.320  0.835  1.0
  U  U4  1  0.000  0.000  0.000  1.0
  U  U5  1  0.500  0.000  0.500  1.0
  Br  Br6  1  0.730  0.746  0.525  1.0
  Br  Br7  1  0.270  0.254  0.475  1.0
  Br  Br8  1  0.442  0.836  0.781  1.0
  Br  Br9  1  0.770  0.746  0.025  1.0
  Br  Br10  1  0.058  0.836  0.281  1.0
  Br  Br11  1  0.558  0.164  0.219  1.0
  Br  Br12  1  0.230  0.254  0.975  1.0
  Br  Br13  1  0.942  0.164  0.719  1.0
  O  O14  1  0.602  0.201  0.540  1.0
  O  O15  1  0.398  0.799  0.460  1.0
  O  O16  1  0.898  0.201  0.040  1.0
  O  O17  1  0.102  0.799  0.960  1.0
[/CIF]
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The material described by Cs2U(OBr2)2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent Br(1), and four equivalent Br(2) atoms. U(1) is bonded in a distorted linear geometry to two equivalent O(1), two equivalent Br(1), and two equivalent Br(2) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one U(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one U(1) atom. In the second Br site, Br(2) is bonded to four equivalent Cs(1) and one U(1) atom to form a mixture of distorted corner and edge-sharing BrCs4U trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2U(Br2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.025
_cell_length_b   6.688
_cell_length_c   10.161
_cell_angle_alpha   74.882
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   657.654
_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  0.882  0.320  0.335  1.0
  Cs  Cs1  1  0.118  0.680  0.665  1.0
  Cs  Cs2  1  0.382  0.680  0.165  1.0
  Cs  Cs3  1  0.618  0.320  0.835  1.0
  U  U4  1  0.000  0.000  0.000  1.0
  U  U5  1  0.500  0.000  0.500  1.0
  Br  Br6  1  0.730  0.746  0.525  1.0
  Br  Br7  1  0.270  0.254  0.475  1.0
  Br  Br8  1  0.442  0.836  0.781  1.0
  Br  Br9  1  0.770  0.746  0.025  1.0
  Br  Br10  1  0.058  0.836  0.281  1.0
  Br  Br11  1  0.558  0.164  0.219  1.0
  Br  Br12  1  0.230  0.254  0.975  1.0
  Br  Br13  1  0.942  0.164  0.719  1.0
  O  O14  1  0.602  0.201  0.540  1.0
  O  O15  1  0.398  0.799  0.460  1.0
  O  O16  1  0.898  0.201  0.040  1.0
  O  O17  1  0.102  0.799  0.960  1.0
[/CIF]
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