The crystal structure described by Cr5B2P crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to four equivalent B(1) and two equivalent P(1) atoms. In the second Cr site, Cr(2) is bonded to three equivalent B(1) and two equivalent P(1) atoms to form a mixture of distorted face, corner, and edge-sharing CrB3P2 trigonal bipyramids. B(1) is bonded in a 9-coordinate geometry to two equivalent Cr(1), six equivalent Cr(2), and one B(1) atom. P(1) is bonded in a 10-coordinate geometry to two equivalent Cr(1) and eight equivalent Cr(2) atoms. is represented by the CIF card [CIF]
data_Cr5B2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.547
_cell_length_b   5.547
_cell_length_c   6.478
_cell_angle_alpha   115.350
_cell_angle_beta   115.350
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   158.655
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  Cr  Cr2  1  0.030  0.530  0.722  1.0
  Cr  Cr3  1  0.692  0.192  0.722  1.0
  Cr  Cr4  1  0.192  0.030  0.722  1.0
  Cr  Cr5  1  0.530  0.692  0.722  1.0
  Cr  Cr6  1  0.970  0.470  0.278  1.0
  Cr  Cr7  1  0.308  0.808  0.278  1.0
  Cr  Cr8  1  0.808  0.970  0.278  1.0
  Cr  Cr9  1  0.470  0.308  0.278  1.0
  B  B10  1  0.382  0.882  0.000  1.0
  B  B11  1  0.618  0.118  0.000  1.0
  B  B12  1  0.118  0.382  0.000  1.0
  B  B13  1  0.882  0.618  0.000  1.0
  P  P14  1  0.250  0.250  0.500  1.0
  P  P15  1  0.750  0.750  0.500  1.0
[/CIF]
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The crystal structure described by Cr5B2P crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to four equivalent B(1) and two equivalent P(1) atoms. In the second Cr site, Cr(2) is bonded to three equivalent B(1) and two equivalent P(1) atoms to form a mixture of distorted face, corner, and edge-sharing CrB3P2 trigonal bipyramids. B(1) is bonded in a 9-coordinate geometry to two equivalent Cr(1), six equivalent Cr(2), and one B(1) atom. P(1) is bonded in a 10-coordinate geometry to two equivalent Cr(1) and eight equivalent Cr(2) atoms. is represented by the CIF card [CIF]
data_Cr5B2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.547
_cell_length_b   5.547
_cell_length_c   6.478
_cell_angle_alpha   115.350
_cell_angle_beta   115.350
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   158.655
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  Cr  Cr2  1  0.030  0.530  0.722  1.0
  Cr  Cr3  1  0.692  0.192  0.722  1.0
  Cr  Cr4  1  0.192  0.030  0.722  1.0
  Cr  Cr5  1  0.530  0.692  0.722  1.0
  Cr  Cr6  1  0.970  0.470  0.278  1.0
  Cr  Cr7  1  0.308  0.808  0.278  1.0
  Cr  Cr8  1  0.808  0.970  0.278  1.0
  Cr  Cr9  1  0.470  0.308  0.278  1.0
  B  B10  1  0.382  0.882  0.000  1.0
  B  B11  1  0.618  0.118  0.000  1.0
  B  B12  1  0.118  0.382  0.000  1.0
  B  B13  1  0.882  0.618  0.000  1.0
  P  P14  1  0.250  0.250  0.500  1.0
  P  P15  1  0.750  0.750  0.500  1.0
[/CIF]
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