The compound described by CrB4 crystallizes in the orthorhombic Pnnm space group. Cr(1) is bonded to six equivalent B(1) and six equivalent B(2) atoms to form a mixture of face and edge-sharing CrB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to three equivalent Cr(1), one B(1), and four equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to three equivalent Cr(1) and four equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.846
_cell_length_b   4.706
_cell_length_c   5.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   72.954
_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  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.500  0.663  0.868  1.0
  B  B3  1  0.500  0.337  0.132  1.0
  B  B4  1  0.000  0.163  0.632  1.0
  B  B5  1  0.000  0.837  0.368  1.0
  B  B6  1  0.500  0.725  0.180  1.0
  B  B7  1  0.500  0.275  0.820  1.0
  B  B8  1  0.000  0.225  0.320  1.0
  B  B9  1  0.000  0.775  0.680  1.0
[/CIF]
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The compound described by CrB4 crystallizes in the orthorhombic Pnnm space group. Cr(1) is bonded to six equivalent B(1) and six equivalent B(2) atoms to form a mixture of face and edge-sharing CrB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to three equivalent Cr(1), one B(1), and four equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to three equivalent Cr(1) and four equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.846
_cell_length_b   4.706
_cell_length_c   5.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   72.954
_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  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.500  0.663  0.868  1.0
  B  B3  1  0.500  0.337  0.132  1.0
  B  B4  1  0.000  0.163  0.632  1.0
  B  B5  1  0.000  0.837  0.368  1.0
  B  B6  1  0.500  0.725  0.180  1.0
  B  B7  1  0.500  0.275  0.820  1.0
  B  B8  1  0.000  0.225  0.320  1.0
  B  B9  1  0.000  0.775  0.680  1.0
[/CIF]
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