The material structure described by Pr3CBr3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. Pr(1) is bonded to two equivalent C(1) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing PrC2Br4 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. C(1) is bonded to six equivalent Pr(1) atoms to form edge-sharing CPr6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3CBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.965
_cell_length_b   9.965
_cell_length_c   9.965
_cell_angle_alpha   109.471
_cell_angle_beta   109.474
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   761.766
_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  0.460  0.480  0.230  1.0
  Pr  Pr1  1  0.750  0.230  0.270  1.0
  Pr  Pr2  1  0.750  0.020  0.480  1.0
  Pr  Pr3  1  0.230  0.460  0.480  1.0
  Pr  Pr4  1  0.270  0.750  0.230  1.0
  Pr  Pr5  1  0.040  0.270  0.020  1.0
  Pr  Pr6  1  0.020  0.040  0.270  1.0
  Pr  Pr7  1  0.480  0.750  0.020  1.0
  Pr  Pr8  1  0.480  0.230  0.460  1.0
  Pr  Pr9  1  0.020  0.480  0.750  1.0
  Pr  Pr10  1  0.270  0.020  0.040  1.0
  Pr  Pr11  1  0.230  0.270  0.750  1.0
  C  C12  1  0.250  0.250  0.250  1.0
  C  C13  1  0.500  1.000  0.250  1.0
  C  C14  1  1.000  0.250  0.500  1.0
  C  C15  1  0.250  0.500  0.000  1.0
  Br  Br16  1  0.250  0.760  0.740  1.0
  Br  Br17  1  0.521  0.510  0.760  1.0
  Br  Br18  1  0.979  0.740  0.990  1.0
  Br  Br19  1  0.740  0.250  0.760  1.0
  Br  Br20  1  0.990  0.979  0.740  1.0
  Br  Br21  1  0.250  0.990  0.510  1.0
  Br  Br22  1  0.760  0.521  0.510  1.0
  Br  Br23  1  0.510  0.250  0.990  1.0
  Br  Br24  1  0.760  0.740  0.250  1.0
  Br  Br25  1  0.740  0.990  0.979  1.0
  Br  Br26  1  0.990  0.510  0.250  1.0
  Br  Br27  1  0.510  0.760  0.521  1.0
[/CIF]
.
The material structure described by Pr3CBr3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. Pr(1) is bonded to two equivalent C(1) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing PrC2Br4 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. C(1) is bonded to six equivalent Pr(1) atoms to form edge-sharing CPr6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3CBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.965
_cell_length_b   9.965
_cell_length_c   9.965
_cell_angle_alpha   109.471
_cell_angle_beta   109.474
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   761.766
_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  0.460  0.480  0.230  1.0
  Pr  Pr1  1  0.750  0.230  0.270  1.0
  Pr  Pr2  1  0.750  0.020  0.480  1.0
  Pr  Pr3  1  0.230  0.460  0.480  1.0
  Pr  Pr4  1  0.270  0.750  0.230  1.0
  Pr  Pr5  1  0.040  0.270  0.020  1.0
  Pr  Pr6  1  0.020  0.040  0.270  1.0
  Pr  Pr7  1  0.480  0.750  0.020  1.0
  Pr  Pr8  1  0.480  0.230  0.460  1.0
  Pr  Pr9  1  0.020  0.480  0.750  1.0
  Pr  Pr10  1  0.270  0.020  0.040  1.0
  Pr  Pr11  1  0.230  0.270  0.750  1.0
  C  C12  1  0.250  0.250  0.250  1.0
  C  C13  1  0.500  1.000  0.250  1.0
  C  C14  1  1.000  0.250  0.500  1.0
  C  C15  1  0.250  0.500  0.000  1.0
  Br  Br16  1  0.250  0.760  0.740  1.0
  Br  Br17  1  0.521  0.510  0.760  1.0
  Br  Br18  1  0.979  0.740  0.990  1.0
  Br  Br19  1  0.740  0.250  0.760  1.0
  Br  Br20  1  0.990  0.979  0.740  1.0
  Br  Br21  1  0.250  0.990  0.510  1.0
  Br  Br22  1  0.760  0.521  0.510  1.0
  Br  Br23  1  0.510  0.250  0.990  1.0
  Br  Br24  1  0.760  0.740  0.250  1.0
  Br  Br25  1  0.740  0.990  0.979  1.0
  Br  Br26  1  0.990  0.510  0.250  1.0
  Br  Br27  1  0.510  0.760  0.521  1.0
[/CIF]
.