The compound described by Pr3BBr3 crystallizes in the cubic I4_132 space group. Pr(1) is bonded to two equivalent B(1) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing PrB2Br4 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. B(1) is bonded to six equivalent Pr(1) atoms to form edge-sharing BPr6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr3BBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.174
_cell_length_b   10.174
_cell_length_c   10.174
_cell_angle_alpha   109.472
_cell_angle_beta   109.471
_cell_angle_gamma   109.472
_symmetry_Int_Tables_number   1
_cell_volume   810.667
_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  0.467  0.483  0.233  1.0
  Pr  Pr1  1  0.750  0.233  0.267  1.0
  Pr  Pr2  1  0.750  0.017  0.483  1.0
  Pr  Pr3  1  0.233  0.467  0.483  1.0
  Pr  Pr4  1  0.267  0.750  0.233  1.0
  Pr  Pr5  1  0.033  0.267  0.017  1.0
  Pr  Pr6  1  0.017  0.033  0.267  1.0
  Pr  Pr7  1  0.483  0.750  0.017  1.0
  Pr  Pr8  1  0.483  0.233  0.467  1.0
  Pr  Pr9  1  0.017  0.483  0.750  1.0
  Pr  Pr10  1  0.267  0.017  0.033  1.0
  Pr  Pr11  1  0.233  0.267  0.750  1.0
  B  B12  1  0.250  0.250  0.250  1.0
  B  B13  1  0.500  1.000  0.250  1.0
  B  B14  1  1.000  0.250  0.500  1.0
  B  B15  1  0.250  0.500  0.000  1.0
  Br  Br16  1  0.250  0.759  0.741  1.0
  Br  Br17  1  0.517  0.509  0.759  1.0
  Br  Br18  1  0.983  0.741  0.991  1.0
  Br  Br19  1  0.741  0.250  0.759  1.0
  Br  Br20  1  0.991  0.983  0.741  1.0
  Br  Br21  1  0.250  0.991  0.509  1.0
  Br  Br22  1  0.759  0.517  0.509  1.0
  Br  Br23  1  0.509  0.250  0.991  1.0
  Br  Br24  1  0.759  0.741  0.250  1.0
  Br  Br25  1  0.741  0.991  0.983  1.0
  Br  Br26  1  0.991  0.509  0.250  1.0
  Br  Br27  1  0.509  0.759  0.517  1.0
[/CIF]
.
The compound described by Pr3BBr3 crystallizes in the cubic I4_132 space group. Pr(1) is bonded to two equivalent B(1) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing PrB2Br4 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. B(1) is bonded to six equivalent Pr(1) atoms to form edge-sharing BPr6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr3BBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.174
_cell_length_b   10.174
_cell_length_c   10.174
_cell_angle_alpha   109.472
_cell_angle_beta   109.471
_cell_angle_gamma   109.472
_symmetry_Int_Tables_number   1
_cell_volume   810.667
_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  0.467  0.483  0.233  1.0
  Pr  Pr1  1  0.750  0.233  0.267  1.0
  Pr  Pr2  1  0.750  0.017  0.483  1.0
  Pr  Pr3  1  0.233  0.467  0.483  1.0
  Pr  Pr4  1  0.267  0.750  0.233  1.0
  Pr  Pr5  1  0.033  0.267  0.017  1.0
  Pr  Pr6  1  0.017  0.033  0.267  1.0
  Pr  Pr7  1  0.483  0.750  0.017  1.0
  Pr  Pr8  1  0.483  0.233  0.467  1.0
  Pr  Pr9  1  0.017  0.483  0.750  1.0
  Pr  Pr10  1  0.267  0.017  0.033  1.0
  Pr  Pr11  1  0.233  0.267  0.750  1.0
  B  B12  1  0.250  0.250  0.250  1.0
  B  B13  1  0.500  1.000  0.250  1.0
  B  B14  1  1.000  0.250  0.500  1.0
  B  B15  1  0.250  0.500  0.000  1.0
  Br  Br16  1  0.250  0.759  0.741  1.0
  Br  Br17  1  0.517  0.509  0.759  1.0
  Br  Br18  1  0.983  0.741  0.991  1.0
  Br  Br19  1  0.741  0.250  0.759  1.0
  Br  Br20  1  0.991  0.983  0.741  1.0
  Br  Br21  1  0.250  0.991  0.509  1.0
  Br  Br22  1  0.759  0.517  0.509  1.0
  Br  Br23  1  0.509  0.250  0.991  1.0
  Br  Br24  1  0.759  0.741  0.250  1.0
  Br  Br25  1  0.741  0.991  0.983  1.0
  Br  Br26  1  0.991  0.509  0.250  1.0
  Br  Br27  1  0.509  0.759  0.517  1.0
[/CIF]
.