The crystal structure described by Pr3Co13B2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent Co(3) atoms. In the second Pr site, Pr(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(3) and six equivalent B(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Pr(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of corner, edge, and face-sharing CoPr4Co8 cuboctahedra. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Pr(1), three equivalent Co(1), and three equivalent Co(3) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Co(2), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Pr(2) and six equivalent Co(3) atoms. is represented by the CIF file [CIF]
data_Pr3Co13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.116
_cell_length_b   5.116
_cell_length_c   10.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   245.545
_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  0.000  0.000  0.677  1.0
  Pr  Pr1  1  0.000  0.000  0.323  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  Co  Co6  1  0.667  0.333  0.682  1.0
  Co  Co7  1  0.333  0.667  0.318  1.0
  Co  Co8  1  0.333  0.667  0.682  1.0
  Co  Co9  1  0.667  0.333  0.318  1.0
  Co  Co10  1  0.500  0.500  0.866  1.0
  Co  Co11  1  0.500  0.500  0.134  1.0
  Co  Co12  1  0.000  0.500  0.866  1.0
  Co  Co13  1  0.000  0.500  0.134  1.0
  Co  Co14  1  0.500  0.000  0.866  1.0
  Co  Co15  1  0.500  0.000  0.134  1.0
  B  B16  1  0.667  0.333  0.000  1.0
  B  B17  1  0.333  0.667  0.000  1.0
[/CIF]
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The crystal structure described by Pr3Co13B2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent Co(3) atoms. In the second Pr site, Pr(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(3) and six equivalent B(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Pr(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of corner, edge, and face-sharing CoPr4Co8 cuboctahedra. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Pr(1), three equivalent Co(1), and three equivalent Co(3) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Co(2), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Pr(2) and six equivalent Co(3) atoms. is represented by the CIF file [CIF]
data_Pr3Co13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.116
_cell_length_b   5.116
_cell_length_c   10.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   245.545
_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  0.000  0.000  0.677  1.0
  Pr  Pr1  1  0.000  0.000  0.323  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  Co  Co6  1  0.667  0.333  0.682  1.0
  Co  Co7  1  0.333  0.667  0.318  1.0
  Co  Co8  1  0.333  0.667  0.682  1.0
  Co  Co9  1  0.667  0.333  0.318  1.0
  Co  Co10  1  0.500  0.500  0.866  1.0
  Co  Co11  1  0.500  0.500  0.134  1.0
  Co  Co12  1  0.000  0.500  0.866  1.0
  Co  Co13  1  0.000  0.500  0.134  1.0
  Co  Co14  1  0.500  0.000  0.866  1.0
  Co  Co15  1  0.500  0.000  0.134  1.0
  B  B16  1  0.667  0.333  0.000  1.0
  B  B17  1  0.333  0.667  0.000  1.0
[/CIF]
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