The material structure described by Pr4(CoB2)3 crystallizes in the trigonal R-3m space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 16-coordinate geometry to four equivalent Pr(2), three equivalent Co(1), three equivalent Co(2), and six equivalent B(1) atoms. In the second Pr site, Pr(2) is bonded in a 16-coordinate geometry to four equivalent Pr(1), three equivalent Co(1), three equivalent Co(2), and six equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 14-coordinate geometry to six equivalent Pr(1), six equivalent Pr(2), and two equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a 13-coordinate geometry to three equivalent Pr(1), three equivalent Pr(2), one Co(1), and six equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Co(2), and three equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr4(CoB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.381
_cell_length_b   5.381
_cell_length_c   8.273
_cell_angle_alpha   71.022
_cell_angle_beta   71.022
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   192.268
_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  0.743  0.743  0.771  1.0
  Pr  Pr1  1  0.257  0.257  0.229  1.0
  Pr  Pr2  1  0.591  0.591  0.228  1.0
  Pr  Pr3  1  0.409  0.409  0.772  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.885  0.885  0.345  1.0
  Co  Co6  1  0.115  0.115  0.655  1.0
  B  B7  1  0.500  0.167  0.500  1.0
  B  B8  1  0.833  0.500  0.500  1.0
  B  B9  1  0.167  0.833  0.500  1.0
  B  B10  1  0.167  0.500  0.500  1.0
  B  B11  1  0.833  0.167  0.500  1.0
  B  B12  1  0.500  0.833  0.500  1.0
[/CIF]
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The material structure described by Pr4(CoB2)3 crystallizes in the trigonal R-3m space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 16-coordinate geometry to four equivalent Pr(2), three equivalent Co(1), three equivalent Co(2), and six equivalent B(1) atoms. In the second Pr site, Pr(2) is bonded in a 16-coordinate geometry to four equivalent Pr(1), three equivalent Co(1), three equivalent Co(2), and six equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 14-coordinate geometry to six equivalent Pr(1), six equivalent Pr(2), and two equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a 13-coordinate geometry to three equivalent Pr(1), three equivalent Pr(2), one Co(1), and six equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Co(2), and three equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr4(CoB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.381
_cell_length_b   5.381
_cell_length_c   8.273
_cell_angle_alpha   71.022
_cell_angle_beta   71.022
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   192.268
_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  0.743  0.743  0.771  1.0
  Pr  Pr1  1  0.257  0.257  0.229  1.0
  Pr  Pr2  1  0.591  0.591  0.228  1.0
  Pr  Pr3  1  0.409  0.409  0.772  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.885  0.885  0.345  1.0
  Co  Co6  1  0.115  0.115  0.655  1.0
  B  B7  1  0.500  0.167  0.500  1.0
  B  B8  1  0.833  0.500  0.500  1.0
  B  B9  1  0.167  0.833  0.500  1.0
  B  B10  1  0.167  0.500  0.500  1.0
  B  B11  1  0.833  0.167  0.500  1.0
  B  B12  1  0.500  0.833  0.500  1.0
[/CIF]
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