The material structure described by Cr2B is Khatyrkite-like structured and crystallizes in the orthorhombic Fddd space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to four equivalent B(1) atoms. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to four equivalent B(1) atoms. B(1) is bonded in a 10-coordinate geometry to four equivalent Cr(1), four equivalent Cr(2), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Cr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.189
_cell_length_b   4.207
_cell_length_c   7.550
_cell_angle_alpha   82.061
_cell_angle_beta   73.892
_cell_angle_gamma   60.142
_symmetry_Int_Tables_number   1
_cell_volume   110.865
_cell_formula_units_Z   4
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  0.792  0.250  0.416  1.0
  Cr  Cr1  1  0.208  0.750  0.584  1.0
  Cr  Cr2  1  0.210  0.580  0.250  1.0
  Cr  Cr3  1  0.042  0.750  0.916  1.0
  Cr  Cr4  1  0.790  0.420  0.750  1.0
  Cr  Cr5  1  0.540  0.920  0.250  1.0
  Cr  Cr6  1  0.958  0.250  0.084  1.0
  Cr  Cr7  1  0.460  0.080  0.750  1.0
  B  B8  1  0.751  0.750  0.499  1.0
  B  B9  1  0.501  0.250  0.999  1.0
  B  B10  1  0.499  0.750  0.001  1.0
  B  B11  1  0.249  0.250  0.501  1.0
[/CIF]
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The material structure described by Cr2B is Khatyrkite-like structured and crystallizes in the orthorhombic Fddd space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to four equivalent B(1) atoms. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to four equivalent B(1) atoms. B(1) is bonded in a 10-coordinate geometry to four equivalent Cr(1), four equivalent Cr(2), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Cr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.189
_cell_length_b   4.207
_cell_length_c   7.550
_cell_angle_alpha   82.061
_cell_angle_beta   73.892
_cell_angle_gamma   60.142
_symmetry_Int_Tables_number   1
_cell_volume   110.865
_cell_formula_units_Z   4
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  0.792  0.250  0.416  1.0
  Cr  Cr1  1  0.208  0.750  0.584  1.0
  Cr  Cr2  1  0.210  0.580  0.250  1.0
  Cr  Cr3  1  0.042  0.750  0.916  1.0
  Cr  Cr4  1  0.790  0.420  0.750  1.0
  Cr  Cr5  1  0.540  0.920  0.250  1.0
  Cr  Cr6  1  0.958  0.250  0.084  1.0
  Cr  Cr7  1  0.460  0.080  0.750  1.0
  B  B8  1  0.751  0.750  0.499  1.0
  B  B9  1  0.501  0.250  0.999  1.0
  B  B10  1  0.499  0.750  0.001  1.0
  B  B11  1  0.249  0.250  0.501  1.0
[/CIF]
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