The structure described by Pr3Ta(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. Pr(1) is bonded in a 10-coordinate geometry to six equivalent O(1) and four equivalent Cl(1) atoms. Ta(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. O(1) is bonded to three equivalent Pr(1) and one Ta(1) atom to form a mixture of distorted corner and edge-sharing OPr3Ta tetrahedra. Cl(1) is bonded in a see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_Pr3Ta(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.557
_cell_length_b   9.557
_cell_length_c   5.356
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   423.671
_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  0.910  0.597  0.750  1.0
  Pr  Pr1  1  0.090  0.403  0.250  1.0
  Pr  Pr2  1  0.687  0.090  0.750  1.0
  Pr  Pr3  1  0.313  0.910  0.250  1.0
  Pr  Pr4  1  0.403  0.313  0.750  1.0
  Pr  Pr5  1  0.597  0.687  0.250  1.0
  Ta  Ta6  1  0.333  0.667  0.750  1.0
  Ta  Ta7  1  0.667  0.333  0.250  1.0
  Cl  Cl8  1  0.760  0.810  0.750  1.0
  Cl  Cl9  1  0.240  0.190  0.250  1.0
  Cl  Cl10  1  0.050  0.240  0.750  1.0
  Cl  Cl11  1  0.950  0.760  0.250  1.0
  Cl  Cl12  1  0.190  0.950  0.750  1.0
  Cl  Cl13  1  0.810  0.050  0.250  1.0
  O  O14  1  0.478  0.842  0.986  1.0
  O  O15  1  0.522  0.158  0.014  1.0
  O  O16  1  0.364  0.522  0.986  1.0
  O  O17  1  0.522  0.158  0.486  1.0
  O  O18  1  0.636  0.478  0.014  1.0
  O  O19  1  0.478  0.842  0.514  1.0
  O  O20  1  0.158  0.636  0.986  1.0
  O  O21  1  0.636  0.478  0.486  1.0
  O  O22  1  0.842  0.364  0.014  1.0
  O  O23  1  0.364  0.522  0.514  1.0
  O  O24  1  0.842  0.364  0.486  1.0
  O  O25  1  0.158  0.636  0.514  1.0
[/CIF]
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The structure described by Pr3Ta(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. Pr(1) is bonded in a 10-coordinate geometry to six equivalent O(1) and four equivalent Cl(1) atoms. Ta(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. O(1) is bonded to three equivalent Pr(1) and one Ta(1) atom to form a mixture of distorted corner and edge-sharing OPr3Ta tetrahedra. Cl(1) is bonded in a see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_Pr3Ta(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.557
_cell_length_b   9.557
_cell_length_c   5.356
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   423.671
_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  0.910  0.597  0.750  1.0
  Pr  Pr1  1  0.090  0.403  0.250  1.0
  Pr  Pr2  1  0.687  0.090  0.750  1.0
  Pr  Pr3  1  0.313  0.910  0.250  1.0
  Pr  Pr4  1  0.403  0.313  0.750  1.0
  Pr  Pr5  1  0.597  0.687  0.250  1.0
  Ta  Ta6  1  0.333  0.667  0.750  1.0
  Ta  Ta7  1  0.667  0.333  0.250  1.0
  Cl  Cl8  1  0.760  0.810  0.750  1.0
  Cl  Cl9  1  0.240  0.190  0.250  1.0
  Cl  Cl10  1  0.050  0.240  0.750  1.0
  Cl  Cl11  1  0.950  0.760  0.250  1.0
  Cl  Cl12  1  0.190  0.950  0.750  1.0
  Cl  Cl13  1  0.810  0.050  0.250  1.0
  O  O14  1  0.478  0.842  0.986  1.0
  O  O15  1  0.522  0.158  0.014  1.0
  O  O16  1  0.364  0.522  0.986  1.0
  O  O17  1  0.522  0.158  0.486  1.0
  O  O18  1  0.636  0.478  0.014  1.0
  O  O19  1  0.478  0.842  0.514  1.0
  O  O20  1  0.158  0.636  0.986  1.0
  O  O21  1  0.636  0.478  0.486  1.0
  O  O22  1  0.842  0.364  0.014  1.0
  O  O23  1  0.364  0.522  0.514  1.0
  O  O24  1  0.842  0.364  0.486  1.0
  O  O25  1  0.158  0.636  0.514  1.0
[/CIF]
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