The material structure described by B13P is T-50 Boron-derived structured and crystallizes in the trigonal R3m space group. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one B(4), one B(5), two equivalent B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to one B(3), two equivalent B(1), two equivalent B(4), and one P(1) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one B(2), one B(4), two equivalent B(1), and two equivalent B(3) atoms. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one B(1), one B(3), two equivalent B(2), and two equivalent B(4) atoms. In the fifth B site, B(5) is bonded in a tetrahedral geometry to three equivalent B(1) and one P(1) atom. P(1) is bonded in a tetrahedral geometry to one B(5) and three equivalent B(2) atoms. is represented by the CIF file [CIF]
data_B13P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.185
_cell_length_c   5.185
_cell_angle_alpha   68.487
_cell_angle_beta   68.487
_cell_angle_gamma   68.487
_symmetry_Int_Tables_number   1
_cell_volume   116.196
_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
  B  B0  1  0.195  0.694  0.195  1.0
  B  B1  1  0.195  0.195  0.694  1.0
  B  B2  1  0.694  0.195  0.195  1.0
  B  B3  1  0.814  0.290  0.814  1.0
  B  B4  1  0.814  0.814  0.290  1.0
  B  B5  1  0.290  0.814  0.814  1.0
  B  B6  1  0.011  0.328  0.011  1.0
  B  B7  1  0.011  0.011  0.328  1.0
  B  B8  1  0.328  0.011  0.011  1.0
  B  B9  1  0.989  0.677  0.989  1.0
  B  B10  1  0.989  0.989  0.677  1.0
  B  B11  1  0.677  0.989  0.989  1.0
  B  B12  1  0.413  0.413  0.413  1.0
  P  P13  1  0.581  0.581  0.581  1.0
[/CIF]
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The material structure described by B13P is T-50 Boron-derived structured and crystallizes in the trigonal R3m space group. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one B(4), one B(5), two equivalent B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to one B(3), two equivalent B(1), two equivalent B(4), and one P(1) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one B(2), one B(4), two equivalent B(1), and two equivalent B(3) atoms. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one B(1), one B(3), two equivalent B(2), and two equivalent B(4) atoms. In the fifth B site, B(5) is bonded in a tetrahedral geometry to three equivalent B(1) and one P(1) atom. P(1) is bonded in a tetrahedral geometry to one B(5) and three equivalent B(2) atoms. is represented by the CIF file [CIF]
data_B13P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.185
_cell_length_c   5.185
_cell_angle_alpha   68.487
_cell_angle_beta   68.487
_cell_angle_gamma   68.487
_symmetry_Int_Tables_number   1
_cell_volume   116.196
_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
  B  B0  1  0.195  0.694  0.195  1.0
  B  B1  1  0.195  0.195  0.694  1.0
  B  B2  1  0.694  0.195  0.195  1.0
  B  B3  1  0.814  0.290  0.814  1.0
  B  B4  1  0.814  0.814  0.290  1.0
  B  B5  1  0.290  0.814  0.814  1.0
  B  B6  1  0.011  0.328  0.011  1.0
  B  B7  1  0.011  0.011  0.328  1.0
  B  B8  1  0.328  0.011  0.011  1.0
  B  B9  1  0.989  0.677  0.989  1.0
  B  B10  1  0.989  0.989  0.677  1.0
  B  B11  1  0.677  0.989  0.989  1.0
  B  B12  1  0.413  0.413  0.413  1.0
  P  P13  1  0.581  0.581  0.581  1.0
[/CIF]
.