The material structure 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 in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), one Br(2), one Br(4), and two equivalent Br(3) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), one Br(1), one Br(5), and two equivalent Br(3) atoms. In the third Pr site, Pr(3) is bonded to one C(2), one Br(5), two equivalent Br(1), and two equivalent Br(4) atoms to form distorted edge-sharing PrCBr5 octahedra. In the fourth Pr site, Pr(4) is bonded to one C(1), one Br(4), two equivalent Br(2), and two equivalent Br(5) atoms to form distorted edge-sharing PrCBr5 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one Pr(4), two equivalent Pr(1), two equivalent Pr(2), and one C(2) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to one Pr(3), two equivalent Pr(1), two equivalent Pr(2), and one C(1) atom. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(3) atoms. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Pr(4) atoms. In the third Br site, Br(3) is bonded in a square co-planar geometry to two equivalent Pr(1) and two equivalent Pr(2) atoms. In the fourth Br site, Br(4) is bonded in a see-saw-like geometry to one Pr(1), one Pr(4), and two equivalent Pr(3) atoms. In the fifth Br site, Br(5) is bonded in a distorted see-saw-like geometry to one Pr(2), one Pr(3), 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   3.952
_cell_length_b   8.319
_cell_length_c   9.948
_cell_angle_alpha   105.915
_cell_angle_beta   78.544
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   307.729
_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  0.003  0.202  0.994  1.0
  Pr  Pr1  1  0.004  0.794  0.992  1.0
  Pr  Pr2  1  0.663  0.887  0.674  1.0
  Pr  Pr3  1  0.344  0.108  0.312  1.0
  C  C4  1  0.466  0.023  0.068  1.0
  C  C5  1  0.541  0.972  0.918  1.0
  Br  Br6  1  0.167  0.617  0.667  1.0
  Br  Br7  1  0.841  0.378  0.319  1.0
  Br  Br8  1  0.502  0.498  0.995  1.0
  Br  Br9  1  0.170  0.161  0.659  1.0
  Br  Br10  1  0.837  0.835  0.327  1.0
[/CIF]
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The material structure 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 in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), one Br(2), one Br(4), and two equivalent Br(3) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), one Br(1), one Br(5), and two equivalent Br(3) atoms. In the third Pr site, Pr(3) is bonded to one C(2), one Br(5), two equivalent Br(1), and two equivalent Br(4) atoms to form distorted edge-sharing PrCBr5 octahedra. In the fourth Pr site, Pr(4) is bonded to one C(1), one Br(4), two equivalent Br(2), and two equivalent Br(5) atoms to form distorted edge-sharing PrCBr5 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one Pr(4), two equivalent Pr(1), two equivalent Pr(2), and one C(2) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to one Pr(3), two equivalent Pr(1), two equivalent Pr(2), and one C(1) atom. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(3) atoms. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Pr(4) atoms. In the third Br site, Br(3) is bonded in a square co-planar geometry to two equivalent Pr(1) and two equivalent Pr(2) atoms. In the fourth Br site, Br(4) is bonded in a see-saw-like geometry to one Pr(1), one Pr(4), and two equivalent Pr(3) atoms. In the fifth Br site, Br(5) is bonded in a distorted see-saw-like geometry to one Pr(2), one Pr(3), 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   3.952
_cell_length_b   8.319
_cell_length_c   9.948
_cell_angle_alpha   105.915
_cell_angle_beta   78.544
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   307.729
_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  0.003  0.202  0.994  1.0
  Pr  Pr1  1  0.004  0.794  0.992  1.0
  Pr  Pr2  1  0.663  0.887  0.674  1.0
  Pr  Pr3  1  0.344  0.108  0.312  1.0
  C  C4  1  0.466  0.023  0.068  1.0
  C  C5  1  0.541  0.972  0.918  1.0
  Br  Br6  1  0.167  0.617  0.667  1.0
  Br  Br7  1  0.841  0.378  0.319  1.0
  Br  Br8  1  0.502  0.498  0.995  1.0
  Br  Br9  1  0.170  0.161  0.659  1.0
  Br  Br10  1  0.837  0.835  0.327  1.0
[/CIF]
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