The structure described by Pr5(C2Br)3 crystallizes in the triclinic P-1 space group. There are five inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one C(2), four equivalent C(5), one Br(2), and two equivalent Br(3) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one C(6), four equivalent C(1), one Br(1), and two equivalent Br(3) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one C(1), two equivalent C(3), two equivalent C(6), one Br(2), and two equivalent Br(1) atoms. In the fourth Pr site, Pr(4) is bonded in a 10-coordinate geometry to two equivalent C(2), two equivalent C(3), two equivalent C(6), three equivalent C(4), and one Br(3) atom. In the fifth Pr site, Pr(5) is bonded in a 8-coordinate geometry to one C(3), one C(5), two equivalent C(2), two equivalent C(4), and two equivalent Br(2) atoms. There are six inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one Pr(3), four equivalent Pr(2), and one C(1) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to one Pr(1), two equivalent Pr(4), two equivalent Pr(5), and one C(4) atom. In the third C site, C(3) is bonded in a 6-coordinate geometry to one Pr(5), two equivalent Pr(3), two equivalent Pr(4), and one C(6) atom. In the fourth C site, C(4) is bonded in a 6-coordinate geometry to two equivalent Pr(5), three equivalent Pr(4), and one C(2) atom. In the fifth C site, C(5) is bonded in a 6-coordinate geometry to one Pr(5), four equivalent Pr(1), and one C(5) atom. In the sixth C site, C(6) is bonded in a 6-coordinate geometry to one Pr(2), two equivalent Pr(3), two equivalent Pr(4), and one C(3) atom. There are three 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 rectangular see-saw-like geometry to one Pr(1), one Pr(3), and two equivalent Pr(5) atoms. In the third Br site, Br(3) is bonded to one Pr(4), two equivalent Pr(1), and two equivalent Pr(2) atoms to form distorted edge-sharing BrPr5 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5(C2Br)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.935
_cell_length_b   11.632
_cell_length_c   14.020
_cell_angle_alpha   79.805
_cell_angle_beta   81.941
_cell_angle_gamma   80.371
_symmetry_Int_Tables_number   1
_cell_volume   618.601
_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  0.500  0.896  0.105  1.0
  Pr  Pr1  1  0.500  0.104  0.895  1.0
  Pr  Pr2  1  0.498  0.606  0.397  1.0
  Pr  Pr3  1  0.502  0.394  0.603  1.0
  Pr  Pr4  1  0.839  0.675  0.647  1.0
  Pr  Pr5  1  0.161  0.325  0.353  1.0
  Pr  Pr6  1  0.173  0.538  0.116  1.0
  Pr  Pr7  1  0.827  0.462  0.884  1.0
  Pr  Pr8  1  0.835  0.228  0.101  1.0
  Pr  Pr9  1  0.165  0.772  0.899  1.0
  C  C10  1  0.965  0.535  0.535  1.0
  C  C11  1  0.035  0.465  0.465  1.0
  C  C12  1  0.628  0.710  0.033  1.0
  C  C13  1  0.372  0.290  0.967  1.0
  C  C14  1  0.698  0.388  0.217  1.0
  C  C15  1  0.302  0.612  0.783  1.0
  C  C16  1  0.302  0.379  0.016  1.0
  C  C17  1  0.698  0.621  0.984  1.0
  C  C18  1  0.964  0.048  0.022  1.0
  C  C19  1  0.036  0.952  0.978  1.0
  C  C20  1  0.629  0.474  0.268  1.0
  C  C21  1  0.371  0.525  0.732  1.0
  Br  Br22  1  0.667  0.178  0.487  1.0
  Br  Br23  1  0.333  0.822  0.513  1.0
  Br  Br24  1  0.329  0.090  0.251  1.0
  Br  Br25  1  0.671  0.910  0.749  1.0
  Br  Br26  1  0.984  0.769  0.262  1.0
  Br  Br27  1  0.016  0.231  0.738  1.0
[/CIF]
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The structure described by Pr5(C2Br)3 crystallizes in the triclinic P-1 space group. There are five inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one C(2), four equivalent C(5), one Br(2), and two equivalent Br(3) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one C(6), four equivalent C(1), one Br(1), and two equivalent Br(3) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one C(1), two equivalent C(3), two equivalent C(6), one Br(2), and two equivalent Br(1) atoms. In the fourth Pr site, Pr(4) is bonded in a 10-coordinate geometry to two equivalent C(2), two equivalent C(3), two equivalent C(6), three equivalent C(4), and one Br(3) atom. In the fifth Pr site, Pr(5) is bonded in a 8-coordinate geometry to one C(3), one C(5), two equivalent C(2), two equivalent C(4), and two equivalent Br(2) atoms. There are six inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one Pr(3), four equivalent Pr(2), and one C(1) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to one Pr(1), two equivalent Pr(4), two equivalent Pr(5), and one C(4) atom. In the third C site, C(3) is bonded in a 6-coordinate geometry to one Pr(5), two equivalent Pr(3), two equivalent Pr(4), and one C(6) atom. In the fourth C site, C(4) is bonded in a 6-coordinate geometry to two equivalent Pr(5), three equivalent Pr(4), and one C(2) atom. In the fifth C site, C(5) is bonded in a 6-coordinate geometry to one Pr(5), four equivalent Pr(1), and one C(5) atom. In the sixth C site, C(6) is bonded in a 6-coordinate geometry to one Pr(2), two equivalent Pr(3), two equivalent Pr(4), and one C(3) atom. There are three 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 rectangular see-saw-like geometry to one Pr(1), one Pr(3), and two equivalent Pr(5) atoms. In the third Br site, Br(3) is bonded to one Pr(4), two equivalent Pr(1), and two equivalent Pr(2) atoms to form distorted edge-sharing BrPr5 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5(C2Br)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.935
_cell_length_b   11.632
_cell_length_c   14.020
_cell_angle_alpha   79.805
_cell_angle_beta   81.941
_cell_angle_gamma   80.371
_symmetry_Int_Tables_number   1
_cell_volume   618.601
_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  0.500  0.896  0.105  1.0
  Pr  Pr1  1  0.500  0.104  0.895  1.0
  Pr  Pr2  1  0.498  0.606  0.397  1.0
  Pr  Pr3  1  0.502  0.394  0.603  1.0
  Pr  Pr4  1  0.839  0.675  0.647  1.0
  Pr  Pr5  1  0.161  0.325  0.353  1.0
  Pr  Pr6  1  0.173  0.538  0.116  1.0
  Pr  Pr7  1  0.827  0.462  0.884  1.0
  Pr  Pr8  1  0.835  0.228  0.101  1.0
  Pr  Pr9  1  0.165  0.772  0.899  1.0
  C  C10  1  0.965  0.535  0.535  1.0
  C  C11  1  0.035  0.465  0.465  1.0
  C  C12  1  0.628  0.710  0.033  1.0
  C  C13  1  0.372  0.290  0.967  1.0
  C  C14  1  0.698  0.388  0.217  1.0
  C  C15  1  0.302  0.612  0.783  1.0
  C  C16  1  0.302  0.379  0.016  1.0
  C  C17  1  0.698  0.621  0.984  1.0
  C  C18  1  0.964  0.048  0.022  1.0
  C  C19  1  0.036  0.952  0.978  1.0
  C  C20  1  0.629  0.474  0.268  1.0
  C  C21  1  0.371  0.525  0.732  1.0
  Br  Br22  1  0.667  0.178  0.487  1.0
  Br  Br23  1  0.333  0.822  0.513  1.0
  Br  Br24  1  0.329  0.090  0.251  1.0
  Br  Br25  1  0.671  0.910  0.749  1.0
  Br  Br26  1  0.984  0.769  0.262  1.0
  Br  Br27  1  0.016  0.231  0.738  1.0
[/CIF]
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