The compound described by Ni21(B3Sb)2 crystallizes in the cubic Fm-3m space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted bent 150 degrees geometry to one Ni(3) and two equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded to three equivalent B(1) and one Sb(1) atom to form a mixture of distorted edge and corner-sharing NiB3Sb tetrahedra. In the third Ni site, Ni(3) is bonded in a cuboctahedral geometry to twelve equivalent Ni(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. Sb(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni21(B3Sb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.417
_cell_length_b   7.417
_cell_length_c   7.417
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   288.556
_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
  Ni  Ni0  1  0.000  1.000  0.664  1.0
  Ni  Ni1  1  0.616  0.616  0.153  1.0
  Ni  Ni2  1  0.384  0.847  0.384  1.0
  Ni  Ni3  1  0.664  0.336  1.000  1.0
  Ni  Ni4  1  1.000  0.336  0.664  1.0
  Ni  Ni5  1  0.664  1.000  1.000  1.0
  Ni  Ni6  1  1.000  0.000  0.336  1.0
  Ni  Ni7  1  1.000  0.336  0.000  1.0
  Ni  Ni8  1  0.336  0.000  0.664  1.0
  Ni  Ni9  1  0.664  1.000  0.336  1.0
  Ni  Ni10  1  0.336  0.000  0.000  1.0
  Ni  Ni11  1  0.000  0.664  1.000  1.0
  Ni  Ni12  1  0.384  0.384  0.847  1.0
  Ni  Ni13  1  0.000  0.664  0.336  1.0
  Ni  Ni14  1  0.336  0.664  0.000  1.0
  Ni  Ni15  1  0.000  0.000  0.000  1.0
  Ni  Ni16  1  0.616  0.153  0.616  1.0
  Ni  Ni17  1  0.153  0.616  0.616  1.0
  Ni  Ni18  1  0.384  0.384  0.384  1.0
  Ni  Ni19  1  0.847  0.384  0.384  1.0
  Ni  Ni20  1  0.616  0.616  0.616  1.0
  B  B21  1  0.728  0.728  0.272  1.0
  B  B22  1  0.728  0.272  0.728  1.0
  B  B23  1  0.272  0.728  0.272  1.0
  B  B24  1  0.728  0.272  0.272  1.0
  B  B25  1  0.272  0.728  0.728  1.0
  B  B26  1  0.272  0.272  0.728  1.0
  Sb  Sb27  1  0.250  0.250  0.250  1.0
  Sb  Sb28  1  0.750  0.750  0.750  1.0
[/CIF]
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The compound described by Ni21(B3Sb)2 crystallizes in the cubic Fm-3m space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted bent 150 degrees geometry to one Ni(3) and two equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded to three equivalent B(1) and one Sb(1) atom to form a mixture of distorted edge and corner-sharing NiB3Sb tetrahedra. In the third Ni site, Ni(3) is bonded in a cuboctahedral geometry to twelve equivalent Ni(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. Sb(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni21(B3Sb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.417
_cell_length_b   7.417
_cell_length_c   7.417
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   288.556
_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
  Ni  Ni0  1  0.000  1.000  0.664  1.0
  Ni  Ni1  1  0.616  0.616  0.153  1.0
  Ni  Ni2  1  0.384  0.847  0.384  1.0
  Ni  Ni3  1  0.664  0.336  1.000  1.0
  Ni  Ni4  1  1.000  0.336  0.664  1.0
  Ni  Ni5  1  0.664  1.000  1.000  1.0
  Ni  Ni6  1  1.000  0.000  0.336  1.0
  Ni  Ni7  1  1.000  0.336  0.000  1.0
  Ni  Ni8  1  0.336  0.000  0.664  1.0
  Ni  Ni9  1  0.664  1.000  0.336  1.0
  Ni  Ni10  1  0.336  0.000  0.000  1.0
  Ni  Ni11  1  0.000  0.664  1.000  1.0
  Ni  Ni12  1  0.384  0.384  0.847  1.0
  Ni  Ni13  1  0.000  0.664  0.336  1.0
  Ni  Ni14  1  0.336  0.664  0.000  1.0
  Ni  Ni15  1  0.000  0.000  0.000  1.0
  Ni  Ni16  1  0.616  0.153  0.616  1.0
  Ni  Ni17  1  0.153  0.616  0.616  1.0
  Ni  Ni18  1  0.384  0.384  0.384  1.0
  Ni  Ni19  1  0.847  0.384  0.384  1.0
  Ni  Ni20  1  0.616  0.616  0.616  1.0
  B  B21  1  0.728  0.728  0.272  1.0
  B  B22  1  0.728  0.272  0.728  1.0
  B  B23  1  0.272  0.728  0.272  1.0
  B  B24  1  0.728  0.272  0.272  1.0
  B  B25  1  0.272  0.728  0.728  1.0
  B  B26  1  0.272  0.272  0.728  1.0
  Sb  Sb27  1  0.250  0.250  0.250  1.0
  Sb  Sb28  1  0.750  0.750  0.750  1.0
[/CIF]
.