The crystal structure described by Ni20AlB14 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one Al(1), two equivalent B(1), and two equivalent B(2) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. Al(1) is bonded in a cuboctahedral geometry to twelve equivalent Ni(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and three equivalent B(2) atoms. is represented by the CIF card [CIF]
data_Al(Ni10B7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.536
_cell_length_b   7.536
_cell_length_c   7.536
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   302.592
_cell_formula_units_Z   1
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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.334  0.666  0.000  1.0
  Ni  Ni2  1  0.000  0.666  0.334  1.0
  Ni  Ni3  1  0.334  0.000  0.000  1.0
  Ni  Ni4  1  0.000  0.000  0.666  1.0
  Ni  Ni5  1  0.000  0.000  0.334  1.0
  Ni  Ni6  1  0.000  0.666  0.000  1.0
  Ni  Ni7  1  0.334  0.000  0.666  1.0
  Ni  Ni8  1  0.666  0.000  0.000  1.0
  Ni  Ni9  1  0.000  0.334  0.000  1.0
  Ni  Ni10  1  0.666  0.000  0.334  1.0
  Ni  Ni11  1  0.000  0.334  0.666  1.0
  Ni  Ni12  1  0.666  0.334  0.000  1.0
  Ni  Ni13  1  0.379  0.864  0.379  1.0
  Ni  Ni14  1  0.621  0.621  0.136  1.0
  Ni  Ni15  1  0.136  0.621  0.621  1.0
  Ni  Ni16  1  0.621  0.621  0.621  1.0
  Ni  Ni17  1  0.864  0.379  0.379  1.0
  Ni  Ni18  1  0.379  0.379  0.379  1.0
  Ni  Ni19  1  0.379  0.379  0.864  1.0
  Ni  Ni20  1  0.621  0.136  0.621  1.0
  B  B21  1  0.276  0.276  0.724  1.0
  B  B22  1  0.276  0.724  0.724  1.0
  B  B23  1  0.724  0.276  0.276  1.0
  B  B24  1  0.276  0.724  0.276  1.0
  B  B25  1  0.724  0.276  0.724  1.0
  B  B26  1  0.724  0.724  0.276  1.0
  B  B27  1  0.810  0.570  0.810  1.0
  B  B28  1  0.190  0.190  0.430  1.0
  B  B29  1  0.430  0.190  0.190  1.0
  B  B30  1  0.190  0.190  0.190  1.0
  B  B31  1  0.570  0.810  0.810  1.0
  B  B32  1  0.810  0.810  0.810  1.0
  B  B33  1  0.810  0.810  0.570  1.0
  B  B34  1  0.190  0.430  0.190  1.0
[/CIF]
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The crystal structure described by Ni20AlB14 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one Al(1), two equivalent B(1), and two equivalent B(2) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. Al(1) is bonded in a cuboctahedral geometry to twelve equivalent Ni(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and three equivalent B(2) atoms. is represented by the CIF card [CIF]
data_Al(Ni10B7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.536
_cell_length_b   7.536
_cell_length_c   7.536
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   302.592
_cell_formula_units_Z   1
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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.334  0.666  0.000  1.0
  Ni  Ni2  1  0.000  0.666  0.334  1.0
  Ni  Ni3  1  0.334  0.000  0.000  1.0
  Ni  Ni4  1  0.000  0.000  0.666  1.0
  Ni  Ni5  1  0.000  0.000  0.334  1.0
  Ni  Ni6  1  0.000  0.666  0.000  1.0
  Ni  Ni7  1  0.334  0.000  0.666  1.0
  Ni  Ni8  1  0.666  0.000  0.000  1.0
  Ni  Ni9  1  0.000  0.334  0.000  1.0
  Ni  Ni10  1  0.666  0.000  0.334  1.0
  Ni  Ni11  1  0.000  0.334  0.666  1.0
  Ni  Ni12  1  0.666  0.334  0.000  1.0
  Ni  Ni13  1  0.379  0.864  0.379  1.0
  Ni  Ni14  1  0.621  0.621  0.136  1.0
  Ni  Ni15  1  0.136  0.621  0.621  1.0
  Ni  Ni16  1  0.621  0.621  0.621  1.0
  Ni  Ni17  1  0.864  0.379  0.379  1.0
  Ni  Ni18  1  0.379  0.379  0.379  1.0
  Ni  Ni19  1  0.379  0.379  0.864  1.0
  Ni  Ni20  1  0.621  0.136  0.621  1.0
  B  B21  1  0.276  0.276  0.724  1.0
  B  B22  1  0.276  0.724  0.724  1.0
  B  B23  1  0.724  0.276  0.276  1.0
  B  B24  1  0.276  0.724  0.276  1.0
  B  B25  1  0.724  0.276  0.724  1.0
  B  B26  1  0.724  0.724  0.276  1.0
  B  B27  1  0.810  0.570  0.810  1.0
  B  B28  1  0.190  0.190  0.430  1.0
  B  B29  1  0.430  0.190  0.190  1.0
  B  B30  1  0.190  0.190  0.190  1.0
  B  B31  1  0.570  0.810  0.810  1.0
  B  B32  1  0.810  0.810  0.810  1.0
  B  B33  1  0.810  0.810  0.570  1.0
  B  B34  1  0.190  0.430  0.190  1.0
[/CIF]
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