The material described by Fe2NiB is Cementite-derived structured and crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. Ni(1) is bonded in a 2-coordinate geometry to two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to six equivalent Fe(1) and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Fe2NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.403
_cell_length_b   5.333
_cell_length_c   6.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.429
_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
  Fe  Fe0  1  0.353  0.681  0.061  1.0
  Fe  Fe1  1  0.147  0.181  0.439  1.0
  Fe  Fe2  1  0.647  0.319  0.561  1.0
  Fe  Fe3  1  0.853  0.819  0.939  1.0
  Fe  Fe4  1  0.647  0.319  0.939  1.0
  Fe  Fe5  1  0.853  0.819  0.561  1.0
  Fe  Fe6  1  0.353  0.681  0.439  1.0
  Fe  Fe7  1  0.147  0.181  0.061  1.0
  Ni  Ni8  1  0.867  0.530  0.250  1.0
  Ni  Ni9  1  0.633  0.030  0.250  1.0
  Ni  Ni10  1  0.133  0.470  0.750  1.0
  Ni  Ni11  1  0.367  0.970  0.750  1.0
  B  B12  1  0.056  0.878  0.250  1.0
  B  B13  1  0.444  0.378  0.250  1.0
  B  B14  1  0.944  0.122  0.750  1.0
  B  B15  1  0.556  0.622  0.750  1.0
[/CIF]
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The material described by Fe2NiB is Cementite-derived structured and crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. Ni(1) is bonded in a 2-coordinate geometry to two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to six equivalent Fe(1) and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Fe2NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.403
_cell_length_b   5.333
_cell_length_c   6.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.429
_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
  Fe  Fe0  1  0.353  0.681  0.061  1.0
  Fe  Fe1  1  0.147  0.181  0.439  1.0
  Fe  Fe2  1  0.647  0.319  0.561  1.0
  Fe  Fe3  1  0.853  0.819  0.939  1.0
  Fe  Fe4  1  0.647  0.319  0.939  1.0
  Fe  Fe5  1  0.853  0.819  0.561  1.0
  Fe  Fe6  1  0.353  0.681  0.439  1.0
  Fe  Fe7  1  0.147  0.181  0.061  1.0
  Ni  Ni8  1  0.867  0.530  0.250  1.0
  Ni  Ni9  1  0.633  0.030  0.250  1.0
  Ni  Ni10  1  0.133  0.470  0.750  1.0
  Ni  Ni11  1  0.367  0.970  0.750  1.0
  B  B12  1  0.056  0.878  0.250  1.0
  B  B13  1  0.444  0.378  0.250  1.0
  B  B14  1  0.944  0.122  0.750  1.0
  B  B15  1  0.556  0.622  0.750  1.0
[/CIF]
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