The structure described by Ni3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. In the second Ni site, Ni(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 Ni(2) and six equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Ni3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.339
_cell_length_b   5.150
_cell_length_c   6.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.314
_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
  Ni  Ni0  1  0.654  0.820  0.938  1.0
  Ni  Ni1  1  0.154  0.680  0.062  1.0
  Ni  Ni2  1  0.846  0.320  0.562  1.0
  Ni  Ni3  1  0.346  0.180  0.438  1.0
  Ni  Ni4  1  0.868  0.028  0.250  1.0
  Ni  Ni5  1  0.368  0.472  0.750  1.0
  Ni  Ni6  1  0.632  0.528  0.250  1.0
  Ni  Ni7  1  0.132  0.972  0.750  1.0
  Ni  Ni8  1  0.654  0.820  0.562  1.0
  Ni  Ni9  1  0.154  0.680  0.438  1.0
  Ni  Ni10  1  0.846  0.320  0.938  1.0
  Ni  Ni11  1  0.346  0.180  0.062  1.0
  B  B12  1  0.562  0.118  0.750  1.0
  B  B13  1  0.062  0.382  0.250  1.0
  B  B14  1  0.938  0.618  0.750  1.0
  B  B15  1  0.438  0.882  0.250  1.0
[/CIF]
.
The structure described by Ni3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. In the second Ni site, Ni(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 Ni(2) and six equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Ni3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.339
_cell_length_b   5.150
_cell_length_c   6.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.314
_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
  Ni  Ni0  1  0.654  0.820  0.938  1.0
  Ni  Ni1  1  0.154  0.680  0.062  1.0
  Ni  Ni2  1  0.846  0.320  0.562  1.0
  Ni  Ni3  1  0.346  0.180  0.438  1.0
  Ni  Ni4  1  0.868  0.028  0.250  1.0
  Ni  Ni5  1  0.368  0.472  0.750  1.0
  Ni  Ni6  1  0.632  0.528  0.250  1.0
  Ni  Ni7  1  0.132  0.972  0.750  1.0
  Ni  Ni8  1  0.654  0.820  0.562  1.0
  Ni  Ni9  1  0.154  0.680  0.438  1.0
  Ni  Ni10  1  0.846  0.320  0.938  1.0
  Ni  Ni11  1  0.346  0.180  0.062  1.0
  B  B12  1  0.562  0.118  0.750  1.0
  B  B13  1  0.062  0.382  0.250  1.0
  B  B14  1  0.938  0.618  0.750  1.0
  B  B15  1  0.438  0.882  0.250  1.0
[/CIF]
.