The compound described by UPr3(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. U(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. Pr(1) is bonded in a 10-coordinate geometry to six equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded to one U(1) and three equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr3U tetrahedra. Cl(1) is bonded in a distorted see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr3U(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.515
_cell_length_b   9.515
_cell_length_c   5.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   439.915
_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
  Pr  Pr0  1  0.091  0.686  0.750  1.0
  Pr  Pr1  1  0.909  0.314  0.250  1.0
  Pr  Pr2  1  0.405  0.091  0.250  1.0
  Pr  Pr3  1  0.314  0.405  0.750  1.0
  Pr  Pr4  1  0.686  0.595  0.250  1.0
  Pr  Pr5  1  0.595  0.909  0.750  1.0
  U  U6  1  0.333  0.667  0.250  1.0
  U  U7  1  0.667  0.333  0.750  1.0
  Cl  Cl8  1  0.811  0.752  0.750  1.0
  Cl  Cl9  1  0.752  0.941  0.250  1.0
  Cl  Cl10  1  0.189  0.248  0.250  1.0
  Cl  Cl11  1  0.248  0.059  0.750  1.0
  Cl  Cl12  1  0.941  0.189  0.750  1.0
  Cl  Cl13  1  0.059  0.811  0.250  1.0
  O  O14  1  0.483  0.635  0.007  1.0
  O  O15  1  0.517  0.365  0.993  1.0
  O  O16  1  0.848  0.483  0.507  1.0
  O  O17  1  0.483  0.635  0.493  1.0
  O  O18  1  0.635  0.152  0.993  1.0
  O  O19  1  0.635  0.152  0.507  1.0
  O  O20  1  0.152  0.517  0.493  1.0
  O  O21  1  0.365  0.848  0.007  1.0
  O  O22  1  0.848  0.483  0.993  1.0
  O  O23  1  0.517  0.365  0.507  1.0
  O  O24  1  0.152  0.517  0.007  1.0
  O  O25  1  0.365  0.848  0.493  1.0
[/CIF]
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The compound described by UPr3(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. U(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. Pr(1) is bonded in a 10-coordinate geometry to six equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded to one U(1) and three equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr3U tetrahedra. Cl(1) is bonded in a distorted see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr3U(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.515
_cell_length_b   9.515
_cell_length_c   5.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   439.915
_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
  Pr  Pr0  1  0.091  0.686  0.750  1.0
  Pr  Pr1  1  0.909  0.314  0.250  1.0
  Pr  Pr2  1  0.405  0.091  0.250  1.0
  Pr  Pr3  1  0.314  0.405  0.750  1.0
  Pr  Pr4  1  0.686  0.595  0.250  1.0
  Pr  Pr5  1  0.595  0.909  0.750  1.0
  U  U6  1  0.333  0.667  0.250  1.0
  U  U7  1  0.667  0.333  0.750  1.0
  Cl  Cl8  1  0.811  0.752  0.750  1.0
  Cl  Cl9  1  0.752  0.941  0.250  1.0
  Cl  Cl10  1  0.189  0.248  0.250  1.0
  Cl  Cl11  1  0.248  0.059  0.750  1.0
  Cl  Cl12  1  0.941  0.189  0.750  1.0
  Cl  Cl13  1  0.059  0.811  0.250  1.0
  O  O14  1  0.483  0.635  0.007  1.0
  O  O15  1  0.517  0.365  0.993  1.0
  O  O16  1  0.848  0.483  0.507  1.0
  O  O17  1  0.483  0.635  0.493  1.0
  O  O18  1  0.635  0.152  0.993  1.0
  O  O19  1  0.635  0.152  0.507  1.0
  O  O20  1  0.152  0.517  0.493  1.0
  O  O21  1  0.365  0.848  0.007  1.0
  O  O22  1  0.848  0.483  0.993  1.0
  O  O23  1  0.517  0.365  0.507  1.0
  O  O24  1  0.152  0.517  0.007  1.0
  O  O25  1  0.365  0.848  0.493  1.0
[/CIF]
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