The compound described by Pr4C2Br5 crystallizes in the monoclinic Cm space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one Br(1), one Br(2), one Br(4), and two equivalent Br(3) atoms to form distorted corner-sharing PrBr5 trigonal bipyramids. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to one Br(1), one Br(2), one Br(5), and two equivalent Br(3) atoms. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to one C(1), two equivalent C(2), two equivalent Br(1), and two equivalent Br(4) atoms. In the fourth Pr site, Pr(4) is bonded in a 7-coordinate geometry to one C(2), two equivalent C(1), two equivalent Br(2), and two equivalent Br(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a pentagonal planar geometry to one Pr(3), two equivalent Pr(4), and two equivalent C(2) atoms. In the second C site, C(2) is bonded in a pentagonal planar geometry to one Pr(4), two equivalent Pr(3), and two equivalent C(1) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one Pr(1), one Pr(2), and two equivalent Pr(4) atoms. In the third Br site, Br(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(1) and two equivalent Pr(2) atoms. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Pr(3) atoms. In the fifth Br site, Br(5) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(4) atoms. is represented by the CIF card [CIF]
data_Pr4C2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.013
_cell_length_b   13.013
_cell_length_c   7.824
_cell_angle_alpha   73.861
_cell_angle_beta   73.861
_cell_angle_gamma   15.305
_symmetry_Int_Tables_number   1
_cell_volume   335.721
_cell_formula_units_Z   1
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  0.957  0.957  0.233  1.0
  Pr  Pr1  1  0.038  0.038  0.770  1.0
  Pr  Pr2  1  0.311  0.311  0.128  1.0
  Pr  Pr3  1  0.683  0.683  0.882  1.0
  C  C4  1  0.238  0.238  0.987  1.0
  C  C5  1  0.755  0.755  0.024  1.0
  Br  Br6  1  0.909  0.909  0.928  1.0
  Br  Br7  1  0.084  0.084  0.082  1.0
  Br  Br8  1  0.493  0.493  0.510  1.0
  Br  Br9  1  0.835  0.835  0.425  1.0
  Br  Br10  1  0.160  0.160  0.582  1.0
[/CIF]
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The compound described by Pr4C2Br5 crystallizes in the monoclinic Cm space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one Br(1), one Br(2), one Br(4), and two equivalent Br(3) atoms to form distorted corner-sharing PrBr5 trigonal bipyramids. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to one Br(1), one Br(2), one Br(5), and two equivalent Br(3) atoms. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to one C(1), two equivalent C(2), two equivalent Br(1), and two equivalent Br(4) atoms. In the fourth Pr site, Pr(4) is bonded in a 7-coordinate geometry to one C(2), two equivalent C(1), two equivalent Br(2), and two equivalent Br(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a pentagonal planar geometry to one Pr(3), two equivalent Pr(4), and two equivalent C(2) atoms. In the second C site, C(2) is bonded in a pentagonal planar geometry to one Pr(4), two equivalent Pr(3), and two equivalent C(1) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one Pr(1), one Pr(2), and two equivalent Pr(4) atoms. In the third Br site, Br(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(1) and two equivalent Pr(2) atoms. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Pr(3) atoms. In the fifth Br site, Br(5) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(4) atoms. is represented by the CIF card [CIF]
data_Pr4C2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.013
_cell_length_b   13.013
_cell_length_c   7.824
_cell_angle_alpha   73.861
_cell_angle_beta   73.861
_cell_angle_gamma   15.305
_symmetry_Int_Tables_number   1
_cell_volume   335.721
_cell_formula_units_Z   1
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  0.957  0.957  0.233  1.0
  Pr  Pr1  1  0.038  0.038  0.770  1.0
  Pr  Pr2  1  0.311  0.311  0.128  1.0
  Pr  Pr3  1  0.683  0.683  0.882  1.0
  C  C4  1  0.238  0.238  0.987  1.0
  C  C5  1  0.755  0.755  0.024  1.0
  Br  Br6  1  0.909  0.909  0.928  1.0
  Br  Br7  1  0.084  0.084  0.082  1.0
  Br  Br8  1  0.493  0.493  0.510  1.0
  Br  Br9  1  0.835  0.835  0.425  1.0
  Br  Br10  1  0.160  0.160  0.582  1.0
[/CIF]
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