The material described by Ni4B3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to two equivalent B(2) and three equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to two equivalent B(2) and four equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 10-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Ni4B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.981
_cell_length_b   3.981
_cell_length_c   7.786
_cell_angle_alpha   80.581
_cell_angle_beta   80.581
_cell_angle_gamma   75.056
_symmetry_Int_Tables_number   1
_cell_volume   116.664
_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
  Ni  Ni0  1  0.223  0.366  0.291  1.0
  Ni  Ni1  1  0.634  0.777  0.209  1.0
  Ni  Ni2  1  0.203  0.707  0.994  1.0
  Ni  Ni3  1  0.366  0.223  0.791  1.0
  Ni  Ni4  1  0.707  0.203  0.494  1.0
  Ni  Ni5  1  0.797  0.293  0.006  1.0
  Ni  Ni6  1  0.293  0.797  0.506  1.0
  Ni  Ni7  1  0.777  0.634  0.709  1.0
  B  B8  1  0.841  0.689  0.440  1.0
  B  B9  1  0.689  0.841  0.940  1.0
  B  B10  1  0.311  0.159  0.060  1.0
  B  B11  1  0.922  0.078  0.750  1.0
  B  B12  1  0.159  0.311  0.560  1.0
  B  B13  1  0.078  0.922  0.250  1.0
[/CIF]
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The material described by Ni4B3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to two equivalent B(2) and three equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to two equivalent B(2) and four equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 10-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Ni4B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.981
_cell_length_b   3.981
_cell_length_c   7.786
_cell_angle_alpha   80.581
_cell_angle_beta   80.581
_cell_angle_gamma   75.056
_symmetry_Int_Tables_number   1
_cell_volume   116.664
_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
  Ni  Ni0  1  0.223  0.366  0.291  1.0
  Ni  Ni1  1  0.634  0.777  0.209  1.0
  Ni  Ni2  1  0.203  0.707  0.994  1.0
  Ni  Ni3  1  0.366  0.223  0.791  1.0
  Ni  Ni4  1  0.707  0.203  0.494  1.0
  Ni  Ni5  1  0.797  0.293  0.006  1.0
  Ni  Ni6  1  0.293  0.797  0.506  1.0
  Ni  Ni7  1  0.777  0.634  0.709  1.0
  B  B8  1  0.841  0.689  0.440  1.0
  B  B9  1  0.689  0.841  0.940  1.0
  B  B10  1  0.311  0.159  0.060  1.0
  B  B11  1  0.922  0.078  0.750  1.0
  B  B12  1  0.159  0.311  0.560  1.0
  B  B13  1  0.078  0.922  0.250  1.0
[/CIF]
.