The compound described by Cr5B2Si 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 5-coordinate geometry to three equivalent B(1) and two equivalent Si(1) atoms. In the second Cr site, Cr(2) is bonded in a distorted square co-planar geometry to four equivalent B(1) and two equivalent Si(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Cr(2), six equivalent Cr(1), and one B(1) atom. Si(1) is bonded in a 10-coordinate geometry to two equivalent Cr(2) and eight equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Cr5SiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.598
_cell_length_b   5.598
_cell_length_c   6.523
_cell_angle_alpha   115.409
_cell_angle_beta   115.409
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.490
_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
  B  B0  1  0.619  0.119  1.000  1.0
  B  B1  1  0.381  0.881  0.000  1.0
  B  B2  1  0.881  0.619  0.000  1.0
  B  B3  1  0.119  0.381  1.000  1.0
  Cr  Cr4  1  0.304  0.804  0.275  1.0
  Cr  Cr5  1  0.971  0.471  0.275  1.0
  Cr  Cr6  1  0.471  0.304  0.275  1.0
  Cr  Cr7  1  0.804  0.971  0.275  1.0
  Cr  Cr8  1  0.196  0.029  0.725  1.0
  Cr  Cr9  1  0.529  0.696  0.725  1.0
  Cr  Cr10  1  0.029  0.529  0.725  1.0
  Cr  Cr11  1  0.696  0.196  0.725  1.0
  Cr  Cr12  1  0.000  0.000  0.000  1.0
  Cr  Cr13  1  0.500  0.500  1.000  1.0
  Si  Si14  1  0.250  0.250  0.500  1.0
  Si  Si15  1  0.750  0.750  0.500  1.0
[/CIF]
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The compound described by Cr5B2Si 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 5-coordinate geometry to three equivalent B(1) and two equivalent Si(1) atoms. In the second Cr site, Cr(2) is bonded in a distorted square co-planar geometry to four equivalent B(1) and two equivalent Si(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Cr(2), six equivalent Cr(1), and one B(1) atom. Si(1) is bonded in a 10-coordinate geometry to two equivalent Cr(2) and eight equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Cr5SiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.598
_cell_length_b   5.598
_cell_length_c   6.523
_cell_angle_alpha   115.409
_cell_angle_beta   115.409
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.490
_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
  B  B0  1  0.619  0.119  1.000  1.0
  B  B1  1  0.381  0.881  0.000  1.0
  B  B2  1  0.881  0.619  0.000  1.0
  B  B3  1  0.119  0.381  1.000  1.0
  Cr  Cr4  1  0.304  0.804  0.275  1.0
  Cr  Cr5  1  0.971  0.471  0.275  1.0
  Cr  Cr6  1  0.471  0.304  0.275  1.0
  Cr  Cr7  1  0.804  0.971  0.275  1.0
  Cr  Cr8  1  0.196  0.029  0.725  1.0
  Cr  Cr9  1  0.529  0.696  0.725  1.0
  Cr  Cr10  1  0.029  0.529  0.725  1.0
  Cr  Cr11  1  0.696  0.196  0.725  1.0
  Cr  Cr12  1  0.000  0.000  0.000  1.0
  Cr  Cr13  1  0.500  0.500  1.000  1.0
  Si  Si14  1  0.250  0.250  0.500  1.0
  Si  Si15  1  0.750  0.750  0.500  1.0
[/CIF]
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