The material structure described by PrC2O7Br crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. 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 distorted water-like geometry to one Pr(1) and one Br(1) atom. In the second O site, O(6) is bonded in a bent 120 degrees 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 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 3-coordinate geometry to 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   17.616
_cell_length_b   6.102
_cell_length_c   8.994
_cell_angle_alpha   73.581
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   927.345
_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  0.597  0.357  0.145  1.0
  Pr  Pr1  1  0.903  0.357  0.645  1.0
  Pr  Pr2  1  0.403  0.643  0.855  1.0
  Pr  Pr3  1  0.097  0.643  0.355  1.0
  C  C4  1  0.527  0.905  0.047  1.0
  C  C5  1  0.973  0.905  0.547  1.0
  C  C6  1  0.473  0.095  0.953  1.0
  C  C7  1  0.027  0.095  0.453  1.0
  C  C8  1  0.578  0.780  0.566  1.0
  C  C9  1  0.922  0.780  0.066  1.0
  C  C10  1  0.422  0.220  0.434  1.0
  C  C11  1  0.078  0.220  0.934  1.0
  Br  Br12  1  0.795  0.372  0.023  1.0
  Br  Br13  1  0.705  0.372  0.523  1.0
  Br  Br14  1  0.205  0.628  0.977  1.0
  Br  Br15  1  0.295  0.628  0.477  1.0
  O  O16  1  0.518  0.707  0.027  1.0
  O  O17  1  0.982  0.707  0.527  1.0
  O  O18  1  0.482  0.293  0.973  1.0
  O  O19  1  0.018  0.293  0.473  1.0
  O  O20  1  0.612  0.861  0.453  1.0
  O  O21  1  0.888  0.861  0.953  1.0
  O  O22  1  0.388  0.139  0.547  1.0
  O  O23  1  0.112  0.139  0.047  1.0
  O  O24  1  0.575  0.956  0.135  1.0
  O  O25  1  0.925  0.956  0.635  1.0
  O  O26  1  0.425  0.044  0.865  1.0
  O  O27  1  0.075  0.044  0.365  1.0
  O  O28  1  0.458  0.300  0.320  1.0
  O  O29  1  0.042  0.300  0.820  1.0
  O  O30  1  0.542  0.700  0.680  1.0
  O  O31  1  0.958  0.700  0.180  1.0
  O  O32  1  0.667  0.377  0.927  1.0
  O  O33  1  0.833  0.377  0.427  1.0
  O  O34  1  0.333  0.623  0.073  1.0
  O  O35  1  0.167  0.623  0.573  1.0
  O  O36  1  0.717  0.520  0.112  1.0
  O  O37  1  0.783  0.520  0.612  1.0
  O  O38  1  0.283  0.480  0.888  1.0
  O  O39  1  0.217  0.480  0.388  1.0
  O  O40  1  0.621  0.342  0.407  1.0
  O  O41  1  0.879  0.342  0.907  1.0
  O  O42  1  0.379  0.658  0.593  1.0
  O  O43  1  0.121  0.658  0.093  1.0
[/CIF]
.
The material structure described by PrC2O7Br crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. 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 distorted water-like geometry to one Pr(1) and one Br(1) atom. In the second O site, O(6) is bonded in a bent 120 degrees 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 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 3-coordinate geometry to 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   17.616
_cell_length_b   6.102
_cell_length_c   8.994
_cell_angle_alpha   73.581
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   927.345
_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  0.597  0.357  0.145  1.0
  Pr  Pr1  1  0.903  0.357  0.645  1.0
  Pr  Pr2  1  0.403  0.643  0.855  1.0
  Pr  Pr3  1  0.097  0.643  0.355  1.0
  C  C4  1  0.527  0.905  0.047  1.0
  C  C5  1  0.973  0.905  0.547  1.0
  C  C6  1  0.473  0.095  0.953  1.0
  C  C7  1  0.027  0.095  0.453  1.0
  C  C8  1  0.578  0.780  0.566  1.0
  C  C9  1  0.922  0.780  0.066  1.0
  C  C10  1  0.422  0.220  0.434  1.0
  C  C11  1  0.078  0.220  0.934  1.0
  Br  Br12  1  0.795  0.372  0.023  1.0
  Br  Br13  1  0.705  0.372  0.523  1.0
  Br  Br14  1  0.205  0.628  0.977  1.0
  Br  Br15  1  0.295  0.628  0.477  1.0
  O  O16  1  0.518  0.707  0.027  1.0
  O  O17  1  0.982  0.707  0.527  1.0
  O  O18  1  0.482  0.293  0.973  1.0
  O  O19  1  0.018  0.293  0.473  1.0
  O  O20  1  0.612  0.861  0.453  1.0
  O  O21  1  0.888  0.861  0.953  1.0
  O  O22  1  0.388  0.139  0.547  1.0
  O  O23  1  0.112  0.139  0.047  1.0
  O  O24  1  0.575  0.956  0.135  1.0
  O  O25  1  0.925  0.956  0.635  1.0
  O  O26  1  0.425  0.044  0.865  1.0
  O  O27  1  0.075  0.044  0.365  1.0
  O  O28  1  0.458  0.300  0.320  1.0
  O  O29  1  0.042  0.300  0.820  1.0
  O  O30  1  0.542  0.700  0.680  1.0
  O  O31  1  0.958  0.700  0.180  1.0
  O  O32  1  0.667  0.377  0.927  1.0
  O  O33  1  0.833  0.377  0.427  1.0
  O  O34  1  0.333  0.623  0.073  1.0
  O  O35  1  0.167  0.623  0.573  1.0
  O  O36  1  0.717  0.520  0.112  1.0
  O  O37  1  0.783  0.520  0.612  1.0
  O  O38  1  0.283  0.480  0.888  1.0
  O  O39  1  0.217  0.480  0.388  1.0
  O  O40  1  0.621  0.342  0.407  1.0
  O  O41  1  0.879  0.342  0.907  1.0
  O  O42  1  0.379  0.658  0.593  1.0
  O  O43  1  0.121  0.658  0.093  1.0
[/CIF]
.