The material described by Co3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a distorted bent 150 degrees geometry to two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Co(2) and six equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.408
_cell_length_b   5.151
_cell_length_c   6.619
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.283
_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
  Co  Co0  1  0.650  0.816  0.941  1.0
  Co  Co1  1  0.150  0.684  0.059  1.0
  Co  Co2  1  0.850  0.316  0.559  1.0
  Co  Co3  1  0.350  0.184  0.441  1.0
  Co  Co4  1  0.866  0.024  0.250  1.0
  Co  Co5  1  0.366  0.476  0.750  1.0
  Co  Co6  1  0.634  0.524  0.250  1.0
  Co  Co7  1  0.134  0.976  0.750  1.0
  Co  Co8  1  0.650  0.816  0.559  1.0
  Co  Co9  1  0.150  0.684  0.441  1.0
  Co  Co10  1  0.850  0.316  0.941  1.0
  Co  Co11  1  0.350  0.184  0.059  1.0
  B  B12  1  0.562  0.120  0.750  1.0
  B  B13  1  0.062  0.380  0.250  1.0
  B  B14  1  0.938  0.620  0.750  1.0
  B  B15  1  0.438  0.880  0.250  1.0
[/CIF]
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The material described by Co3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a distorted bent 150 degrees geometry to two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Co(2) and six equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.408
_cell_length_b   5.151
_cell_length_c   6.619
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.283
_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
  Co  Co0  1  0.650  0.816  0.941  1.0
  Co  Co1  1  0.150  0.684  0.059  1.0
  Co  Co2  1  0.850  0.316  0.559  1.0
  Co  Co3  1  0.350  0.184  0.441  1.0
  Co  Co4  1  0.866  0.024  0.250  1.0
  Co  Co5  1  0.366  0.476  0.750  1.0
  Co  Co6  1  0.634  0.524  0.250  1.0
  Co  Co7  1  0.134  0.976  0.750  1.0
  Co  Co8  1  0.650  0.816  0.559  1.0
  Co  Co9  1  0.150  0.684  0.441  1.0
  Co  Co10  1  0.850  0.316  0.941  1.0
  Co  Co11  1  0.350  0.184  0.059  1.0
  B  B12  1  0.562  0.120  0.750  1.0
  B  B13  1  0.062  0.380  0.250  1.0
  B  B14  1  0.938  0.620  0.750  1.0
  B  B15  1  0.438  0.880  0.250  1.0
[/CIF]
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