The material described by Pr3CoBr3 crystallizes in the cubic I4_132 space group. Pr(1) is bonded to two equivalent Co(1) and four equivalent Br(1) atoms to form a mixture of edge and corner-sharing PrCo2Br4 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. Co(1) is bonded to six equivalent Pr(1) atoms to form edge-sharing CoPr6 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_Pr3CoBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.392
_cell_length_b   10.392
_cell_length_c   10.392
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   863.962
_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  0.464  0.482  0.232  1.0
  Pr  Pr1  1  0.750  0.232  0.268  1.0
  Pr  Pr2  1  0.750  0.018  0.482  1.0
  Pr  Pr3  1  0.232  0.464  0.482  1.0
  Pr  Pr4  1  0.268  0.750  0.232  1.0
  Pr  Pr5  1  0.036  0.268  0.018  1.0
  Pr  Pr6  1  0.018  0.036  0.268  1.0
  Pr  Pr7  1  0.482  0.750  0.018  1.0
  Pr  Pr8  1  0.482  0.232  0.464  1.0
  Pr  Pr9  1  0.018  0.482  0.750  1.0
  Pr  Pr10  1  0.268  0.018  0.036  1.0
  Pr  Pr11  1  0.232  0.268  0.750  1.0
  Co  Co12  1  0.250  0.250  0.250  1.0
  Co  Co13  1  0.500  0.000  0.250  1.0
  Co  Co14  1  0.000  0.250  0.500  1.0
  Co  Co15  1  0.250  0.500  0.000  1.0
  Br  Br16  1  0.250  0.758  0.742  1.0
  Br  Br17  1  0.515  0.508  0.758  1.0
  Br  Br18  1  0.985  0.742  0.992  1.0
  Br  Br19  1  0.742  0.250  0.758  1.0
  Br  Br20  1  0.992  0.985  0.742  1.0
  Br  Br21  1  0.250  0.992  0.508  1.0
  Br  Br22  1  0.758  0.515  0.508  1.0
  Br  Br23  1  0.508  0.250  0.992  1.0
  Br  Br24  1  0.758  0.742  0.250  1.0
  Br  Br25  1  0.742  0.992  0.985  1.0
  Br  Br26  1  0.992  0.508  0.250  1.0
  Br  Br27  1  0.508  0.758  0.515  1.0
[/CIF]
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The material described by Pr3CoBr3 crystallizes in the cubic I4_132 space group. Pr(1) is bonded to two equivalent Co(1) and four equivalent Br(1) atoms to form a mixture of edge and corner-sharing PrCo2Br4 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. Co(1) is bonded to six equivalent Pr(1) atoms to form edge-sharing CoPr6 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_Pr3CoBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.392
_cell_length_b   10.392
_cell_length_c   10.392
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   863.962
_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  0.464  0.482  0.232  1.0
  Pr  Pr1  1  0.750  0.232  0.268  1.0
  Pr  Pr2  1  0.750  0.018  0.482  1.0
  Pr  Pr3  1  0.232  0.464  0.482  1.0
  Pr  Pr4  1  0.268  0.750  0.232  1.0
  Pr  Pr5  1  0.036  0.268  0.018  1.0
  Pr  Pr6  1  0.018  0.036  0.268  1.0
  Pr  Pr7  1  0.482  0.750  0.018  1.0
  Pr  Pr8  1  0.482  0.232  0.464  1.0
  Pr  Pr9  1  0.018  0.482  0.750  1.0
  Pr  Pr10  1  0.268  0.018  0.036  1.0
  Pr  Pr11  1  0.232  0.268  0.750  1.0
  Co  Co12  1  0.250  0.250  0.250  1.0
  Co  Co13  1  0.500  0.000  0.250  1.0
  Co  Co14  1  0.000  0.250  0.500  1.0
  Co  Co15  1  0.250  0.500  0.000  1.0
  Br  Br16  1  0.250  0.758  0.742  1.0
  Br  Br17  1  0.515  0.508  0.758  1.0
  Br  Br18  1  0.985  0.742  0.992  1.0
  Br  Br19  1  0.742  0.250  0.758  1.0
  Br  Br20  1  0.992  0.985  0.742  1.0
  Br  Br21  1  0.250  0.992  0.508  1.0
  Br  Br22  1  0.758  0.515  0.508  1.0
  Br  Br23  1  0.508  0.250  0.992  1.0
  Br  Br24  1  0.758  0.742  0.250  1.0
  Br  Br25  1  0.742  0.992  0.985  1.0
  Br  Br26  1  0.992  0.508  0.250  1.0
  Br  Br27  1  0.508  0.758  0.515  1.0
[/CIF]
.