The compound described by Cr12BP3 crystallizes in the triclinic P1 space group. There are twelve inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to one B(1), one P(1), and one P(2) atom. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to one B(1), one P(1), and one P(3) atom. In the third Cr site, Cr(3) is bonded in a 3-coordinate geometry to one P(1), one P(2), and one P(3) atom. In the fourth Cr site, Cr(4) is bonded in a 3-coordinate geometry to one B(1), one P(2), and one P(3) atom. In the fifth Cr site, Cr(5) is bonded in a 2-coordinate geometry to one B(1) and one P(2) atom. In the sixth Cr site, Cr(6) is bonded in a 2-coordinate geometry to one P(1) and one P(3) atom. In the seventh Cr site, Cr(7) is bonded in a 2-coordinate geometry to one P(1) and one P(2) atom. In the eighth Cr site, Cr(8) is bonded in a 2-coordinate geometry to one B(1) and one P(3) atom. In the ninth Cr site, Cr(9) is bonded in a 4-coordinate geometry to two equivalent B(1), one P(2), and one P(3) atom. In the tenth Cr site, Cr(10) is bonded in a 4-coordinate geometry to one P(2), one P(3), and two equivalent P(1) atoms. In the eleventh Cr site, Cr(11) is bonded to one B(1), one P(1), and two equivalent P(2) atoms to form distorted corner-sharing CrBP3 tetrahedra. In the twelfth Cr site, Cr(12) is bonded in a 4-coordinate geometry to one B(1), one P(1), and two equivalent P(3) atoms. B(1) is bonded in a 9-coordinate geometry to one Cr(1), one Cr(11), one Cr(12), one Cr(2), one Cr(4), one Cr(5), one Cr(8), and two equivalent Cr(9) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Cr(1), one Cr(11), one Cr(12), one Cr(2), one Cr(3), one Cr(6), one Cr(7), and two equivalent Cr(10) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Cr(1), one Cr(10), one Cr(3), one Cr(4), one Cr(5), one Cr(7), one Cr(9), and two equivalent Cr(11) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Cr(10), one Cr(2), one Cr(3), one Cr(4), one Cr(6), one Cr(8), one Cr(9), and two equivalent Cr(12) atoms. is represented by the CIF card [CIF]
data_Cr12BP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.462
_cell_length_b   6.687
_cell_length_c   6.749
_cell_angle_alpha   85.435
_cell_angle_beta   108.950
_cell_angle_gamma   108.900
_symmetry_Int_Tables_number   1
_cell_volume   180.135
_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
  Cr  Cr0  1  0.063  0.030  0.603  1.0
  Cr  Cr1  1  0.397  0.948  0.397  1.0
  Cr  Cr2  1  0.985  0.385  0.057  1.0
  Cr  Cr3  1  0.548  0.618  0.939  1.0
  Cr  Cr4  1  0.673  0.015  0.817  1.0
  Cr  Cr5  1  0.833  0.977  0.171  1.0
  Cr  Cr6  1  0.335  0.174  0.022  1.0
  Cr  Cr7  1  0.142  0.816  0.962  1.0
  Cr  Cr8  1  0.652  0.677  0.620  1.0
  Cr  Cr9  1  0.355  0.333  0.385  1.0
  Cr  Cr10  1  0.034  0.404  0.678  1.0
  Cr  Cr11  1  0.979  0.628  0.344  1.0
  B  B12  1  0.221  0.751  0.667  1.0
  P  P13  1  0.789  0.249  0.341  1.0
  P  P14  1  0.537  0.330  0.751  1.0
  P  P15  1  0.456  0.667  0.247  1.0
[/CIF]
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The compound described by Cr12BP3 crystallizes in the triclinic P1 space group. There are twelve inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to one B(1), one P(1), and one P(2) atom. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to one B(1), one P(1), and one P(3) atom. In the third Cr site, Cr(3) is bonded in a 3-coordinate geometry to one P(1), one P(2), and one P(3) atom. In the fourth Cr site, Cr(4) is bonded in a 3-coordinate geometry to one B(1), one P(2), and one P(3) atom. In the fifth Cr site, Cr(5) is bonded in a 2-coordinate geometry to one B(1) and one P(2) atom. In the sixth Cr site, Cr(6) is bonded in a 2-coordinate geometry to one P(1) and one P(3) atom. In the seventh Cr site, Cr(7) is bonded in a 2-coordinate geometry to one P(1) and one P(2) atom. In the eighth Cr site, Cr(8) is bonded in a 2-coordinate geometry to one B(1) and one P(3) atom. In the ninth Cr site, Cr(9) is bonded in a 4-coordinate geometry to two equivalent B(1), one P(2), and one P(3) atom. In the tenth Cr site, Cr(10) is bonded in a 4-coordinate geometry to one P(2), one P(3), and two equivalent P(1) atoms. In the eleventh Cr site, Cr(11) is bonded to one B(1), one P(1), and two equivalent P(2) atoms to form distorted corner-sharing CrBP3 tetrahedra. In the twelfth Cr site, Cr(12) is bonded in a 4-coordinate geometry to one B(1), one P(1), and two equivalent P(3) atoms. B(1) is bonded in a 9-coordinate geometry to one Cr(1), one Cr(11), one Cr(12), one Cr(2), one Cr(4), one Cr(5), one Cr(8), and two equivalent Cr(9) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Cr(1), one Cr(11), one Cr(12), one Cr(2), one Cr(3), one Cr(6), one Cr(7), and two equivalent Cr(10) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Cr(1), one Cr(10), one Cr(3), one Cr(4), one Cr(5), one Cr(7), one Cr(9), and two equivalent Cr(11) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Cr(10), one Cr(2), one Cr(3), one Cr(4), one Cr(6), one Cr(8), one Cr(9), and two equivalent Cr(12) atoms. is represented by the CIF card [CIF]
data_Cr12BP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.462
_cell_length_b   6.687
_cell_length_c   6.749
_cell_angle_alpha   85.435
_cell_angle_beta   108.950
_cell_angle_gamma   108.900
_symmetry_Int_Tables_number   1
_cell_volume   180.135
_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
  Cr  Cr0  1  0.063  0.030  0.603  1.0
  Cr  Cr1  1  0.397  0.948  0.397  1.0
  Cr  Cr2  1  0.985  0.385  0.057  1.0
  Cr  Cr3  1  0.548  0.618  0.939  1.0
  Cr  Cr4  1  0.673  0.015  0.817  1.0
  Cr  Cr5  1  0.833  0.977  0.171  1.0
  Cr  Cr6  1  0.335  0.174  0.022  1.0
  Cr  Cr7  1  0.142  0.816  0.962  1.0
  Cr  Cr8  1  0.652  0.677  0.620  1.0
  Cr  Cr9  1  0.355  0.333  0.385  1.0
  Cr  Cr10  1  0.034  0.404  0.678  1.0
  Cr  Cr11  1  0.979  0.628  0.344  1.0
  B  B12  1  0.221  0.751  0.667  1.0
  P  P13  1  0.789  0.249  0.341  1.0
  P  P14  1  0.537  0.330  0.751  1.0
  P  P15  1  0.456  0.667  0.247  1.0
[/CIF]
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