The material structure described by PrC2O7Br crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), two equivalent O(1), and one Br(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. In the second C site, C(2) is bonded in a linear geometry to one O(2) and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Pr(1) and one Br(1) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to one Pr(1) and one Br(1) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one Br(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Pr(1) and one C(1) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one Pr(1) and one C(2) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one Pr(1) and one C(1) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to one Pr(1) and one C(2) atom. Br(1) is bonded in a 4-coordinate geometry to one Pr(1), one O(5), one O(6), and one O(7) atom. is represented by the CIF card [CIF]
data_PrC2BrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.584
_cell_length_b   6.066
_cell_length_c   8.992
_cell_angle_alpha   67.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   838.142
_cell_formula_units_Z   4
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  0.608  0.339  0.147  1.0
  Pr  Pr1  1  0.892  0.339  0.647  1.0
  Pr  Pr2  1  0.392  0.661  0.853  1.0
  Pr  Pr3  1  0.108  0.661  0.353  1.0
  C  C4  1  0.530  0.898  0.045  1.0
  C  C5  1  0.970  0.898  0.545  1.0
  C  C6  1  0.470  0.102  0.955  1.0
  C  C7  1  0.030  0.102  0.455  1.0
  C  C8  1  0.574  0.801  0.566  1.0
  C  C9  1  0.926  0.801  0.066  1.0
  C  C10  1  0.426  0.199  0.434  1.0
  C  C11  1  0.074  0.199  0.934  1.0
  Br  Br12  1  0.786  0.192  0.130  1.0
  Br  Br13  1  0.714  0.192  0.630  1.0
  Br  Br14  1  0.214  0.808  0.870  1.0
  Br  Br15  1  0.286  0.808  0.370  1.0
  O  O16  1  0.521  0.705  0.020  1.0
  O  O17  1  0.979  0.705  0.520  1.0
  O  O18  1  0.479  0.295  0.980  1.0
  O  O19  1  0.021  0.295  0.480  1.0
  O  O20  1  0.607  0.915  0.446  1.0
  O  O21  1  0.893  0.915  0.946  1.0
  O  O22  1  0.393  0.085  0.554  1.0
  O  O23  1  0.107  0.085  0.054  1.0
  O  O24  1  0.582  0.935  0.135  1.0
  O  O25  1  0.918  0.935  0.635  1.0
  O  O26  1  0.418  0.065  0.865  1.0
  O  O27  1  0.082  0.065  0.365  1.0
  O  O28  1  0.462  0.307  0.316  1.0
  O  O29  1  0.038  0.307  0.816  1.0
  O  O30  1  0.538  0.693  0.684  1.0
  O  O31  1  0.962  0.693  0.184  1.0
  O  O32  1  0.683  0.423  0.916  1.0
  O  O33  1  0.817  0.423  0.416  1.0
  O  O34  1  0.317  0.577  0.084  1.0
  O  O35  1  0.183  0.577  0.584  1.0
  O  O36  1  0.725  0.584  0.089  1.0
  O  O37  1  0.775  0.584  0.589  1.0
  O  O38  1  0.275  0.416  0.911  1.0
  O  O39  1  0.225  0.416  0.411  1.0
  O  O40  1  0.648  0.413  0.376  1.0
  O  O41  1  0.852  0.413  0.876  1.0
  O  O42  1  0.352  0.587  0.624  1.0
  O  O43  1  0.148  0.587  0.124  1.0
[/CIF]
.
The material structure described by PrC2O7Br crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), two equivalent O(1), and one Br(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. In the second C site, C(2) is bonded in a linear geometry to one O(2) and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Pr(1) and one Br(1) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to one Pr(1) and one Br(1) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one Br(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Pr(1) and one C(1) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one Pr(1) and one C(2) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one Pr(1) and one C(1) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to one Pr(1) and one C(2) atom. Br(1) is bonded in a 4-coordinate geometry to one Pr(1), one O(5), one O(6), and one O(7) atom. is represented by the CIF card [CIF]
data_PrC2BrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.584
_cell_length_b   6.066
_cell_length_c   8.992
_cell_angle_alpha   67.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   838.142
_cell_formula_units_Z   4
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  0.608  0.339  0.147  1.0
  Pr  Pr1  1  0.892  0.339  0.647  1.0
  Pr  Pr2  1  0.392  0.661  0.853  1.0
  Pr  Pr3  1  0.108  0.661  0.353  1.0
  C  C4  1  0.530  0.898  0.045  1.0
  C  C5  1  0.970  0.898  0.545  1.0
  C  C6  1  0.470  0.102  0.955  1.0
  C  C7  1  0.030  0.102  0.455  1.0
  C  C8  1  0.574  0.801  0.566  1.0
  C  C9  1  0.926  0.801  0.066  1.0
  C  C10  1  0.426  0.199  0.434  1.0
  C  C11  1  0.074  0.199  0.934  1.0
  Br  Br12  1  0.786  0.192  0.130  1.0
  Br  Br13  1  0.714  0.192  0.630  1.0
  Br  Br14  1  0.214  0.808  0.870  1.0
  Br  Br15  1  0.286  0.808  0.370  1.0
  O  O16  1  0.521  0.705  0.020  1.0
  O  O17  1  0.979  0.705  0.520  1.0
  O  O18  1  0.479  0.295  0.980  1.0
  O  O19  1  0.021  0.295  0.480  1.0
  O  O20  1  0.607  0.915  0.446  1.0
  O  O21  1  0.893  0.915  0.946  1.0
  O  O22  1  0.393  0.085  0.554  1.0
  O  O23  1  0.107  0.085  0.054  1.0
  O  O24  1  0.582  0.935  0.135  1.0
  O  O25  1  0.918  0.935  0.635  1.0
  O  O26  1  0.418  0.065  0.865  1.0
  O  O27  1  0.082  0.065  0.365  1.0
  O  O28  1  0.462  0.307  0.316  1.0
  O  O29  1  0.038  0.307  0.816  1.0
  O  O30  1  0.538  0.693  0.684  1.0
  O  O31  1  0.962  0.693  0.184  1.0
  O  O32  1  0.683  0.423  0.916  1.0
  O  O33  1  0.817  0.423  0.416  1.0
  O  O34  1  0.317  0.577  0.084  1.0
  O  O35  1  0.183  0.577  0.584  1.0
  O  O36  1  0.725  0.584  0.089  1.0
  O  O37  1  0.775  0.584  0.589  1.0
  O  O38  1  0.275  0.416  0.911  1.0
  O  O39  1  0.225  0.416  0.411  1.0
  O  O40  1  0.648  0.413  0.376  1.0
  O  O41  1  0.852  0.413  0.876  1.0
  O  O42  1  0.352  0.587  0.624  1.0
  O  O43  1  0.148  0.587  0.124  1.0
[/CIF]
.