The crystal structure described by Fe3Co3B2 is Cementite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one B(2) and two equivalent B(1) atoms. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to three equivalent B(1) atoms. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to three equivalent B(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one B(2) and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one B(1) and two equivalent B(2) atoms. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one B(1) and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Fe(1), three equivalent Fe(2), one Co(2), one Co(3), and two equivalent Co(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Fe(1), three equivalent Fe(3), one Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. is represented by the CIF file [CIF]
data_Fe3Co3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.275
_cell_length_b   4.427
_cell_length_c   6.632
_cell_angle_alpha   89.942
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.887
_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
  Fe  Fe0  1  0.679  0.900  0.302  1.0
  Fe  Fe1  1  0.179  0.100  0.698  1.0
  Fe  Fe2  1  0.521  0.378  0.502  1.0
  Fe  Fe3  1  0.021  0.622  0.498  1.0
  Fe  Fe4  1  0.477  0.120  0.000  1.0
  Fe  Fe5  1  0.977  0.880  1.000  1.0
  Co  Co6  1  0.680  0.900  0.692  1.0
  Co  Co7  1  0.180  0.100  0.308  1.0
  Co  Co8  1  0.322  0.597  0.193  1.0
  Co  Co9  1  0.822  0.403  0.807  1.0
  Co  Co10  1  0.321  0.600  0.807  1.0
  Co  Co11  1  0.821  0.400  0.193  1.0
  B  B12  1  0.885  0.175  0.500  1.0
  B  B13  1  0.385  0.825  0.500  1.0
  B  B14  1  0.116  0.327  0.001  1.0
  B  B15  1  0.616  0.673  0.999  1.0
[/CIF]
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The crystal structure described by Fe3Co3B2 is Cementite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one B(2) and two equivalent B(1) atoms. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to three equivalent B(1) atoms. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to three equivalent B(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one B(2) and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one B(1) and two equivalent B(2) atoms. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one B(1) and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Fe(1), three equivalent Fe(2), one Co(2), one Co(3), and two equivalent Co(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Fe(1), three equivalent Fe(3), one Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. is represented by the CIF file [CIF]
data_Fe3Co3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.275
_cell_length_b   4.427
_cell_length_c   6.632
_cell_angle_alpha   89.942
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.887
_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
  Fe  Fe0  1  0.679  0.900  0.302  1.0
  Fe  Fe1  1  0.179  0.100  0.698  1.0
  Fe  Fe2  1  0.521  0.378  0.502  1.0
  Fe  Fe3  1  0.021  0.622  0.498  1.0
  Fe  Fe4  1  0.477  0.120  0.000  1.0
  Fe  Fe5  1  0.977  0.880  1.000  1.0
  Co  Co6  1  0.680  0.900  0.692  1.0
  Co  Co7  1  0.180  0.100  0.308  1.0
  Co  Co8  1  0.322  0.597  0.193  1.0
  Co  Co9  1  0.822  0.403  0.807  1.0
  Co  Co10  1  0.321  0.600  0.807  1.0
  Co  Co11  1  0.821  0.400  0.193  1.0
  B  B12  1  0.885  0.175  0.500  1.0
  B  B13  1  0.385  0.825  0.500  1.0
  B  B14  1  0.116  0.327  0.001  1.0
  B  B15  1  0.616  0.673  0.999  1.0
[/CIF]
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