The crystal structure described by Zr6NiSb2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Sb(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_Zr6NiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.784
_cell_length_b   7.784
_cell_length_c   3.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   192.518
_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
  Zr  Zr0  1  0.240  0.000  0.500  1.0
  Zr  Zr1  1  0.000  0.240  0.500  1.0
  Zr  Zr2  1  0.760  0.760  0.500  1.0
  Zr  Zr3  1  0.598  0.000  0.000  1.0
  Zr  Zr4  1  0.000  0.598  0.000  1.0
  Zr  Zr5  1  0.402  0.402  0.000  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  Sb  Sb7  1  0.333  0.667  0.500  1.0
  Sb  Sb8  1  0.667  0.333  0.500  1.0
[/CIF]
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The crystal structure described by Zr6NiSb2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Sb(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_Zr6NiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.784
_cell_length_b   7.784
_cell_length_c   3.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   192.518
_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
  Zr  Zr0  1  0.240  0.000  0.500  1.0
  Zr  Zr1  1  0.000  0.240  0.500  1.0
  Zr  Zr2  1  0.760  0.760  0.500  1.0
  Zr  Zr3  1  0.598  0.000  0.000  1.0
  Zr  Zr4  1  0.000  0.598  0.000  1.0
  Zr  Zr5  1  0.402  0.402  0.000  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  Sb  Sb7  1  0.333  0.667  0.500  1.0
  Sb  Sb8  1  0.667  0.333  0.500  1.0
[/CIF]
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