The compound described by NiZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ni(1) is bonded to twelve equivalent Zn(1) atoms to form NiZn12 cuboctahedra that share corners with six equivalent Ni(1)Zn12 cuboctahedra, corners with twelve equivalent Zn(1)Zn8Ni4 cuboctahedra, edges with eighteen equivalent Zn(1)Zn8Ni4 cuboctahedra, faces with eight equivalent Ni(1)Zn12 cuboctahedra, and faces with twelve equivalent Zn(1)Zn8Ni4 cuboctahedra. Zn(1) is bonded to four equivalent Ni(1) and eight equivalent Zn(1) atoms to form distorted ZnZn8Ni4 cuboctahedra that share corners with four equivalent Ni(1)Zn12 cuboctahedra, corners with fourteen equivalent Zn(1)Zn8Ni4 cuboctahedra, edges with six equivalent Ni(1)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Zn8Ni4 cuboctahedra, faces with four equivalent Ni(1)Zn12 cuboctahedra, and faces with sixteen equivalent Zn(1)Zn8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Zn3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.244
_cell_length_b   5.244
_cell_length_c   4.236
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   100.907
_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
  Zn  Zn0  1  0.829  0.171  0.750  1.0
  Zn  Zn1  1  0.341  0.171  0.750  1.0
  Zn  Zn2  1  0.829  0.659  0.750  1.0
  Zn  Zn3  1  0.171  0.829  0.250  1.0
  Zn  Zn4  1  0.659  0.829  0.250  1.0
  Zn  Zn5  1  0.171  0.341  0.250  1.0
  Ni  Ni6  1  0.333  0.667  0.750  1.0
  Ni  Ni7  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by NiZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ni(1) is bonded to twelve equivalent Zn(1) atoms to form NiZn12 cuboctahedra that share corners with six equivalent Ni(1)Zn12 cuboctahedra, corners with twelve equivalent Zn(1)Zn8Ni4 cuboctahedra, edges with eighteen equivalent Zn(1)Zn8Ni4 cuboctahedra, faces with eight equivalent Ni(1)Zn12 cuboctahedra, and faces with twelve equivalent Zn(1)Zn8Ni4 cuboctahedra. Zn(1) is bonded to four equivalent Ni(1) and eight equivalent Zn(1) atoms to form distorted ZnZn8Ni4 cuboctahedra that share corners with four equivalent Ni(1)Zn12 cuboctahedra, corners with fourteen equivalent Zn(1)Zn8Ni4 cuboctahedra, edges with six equivalent Ni(1)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Zn8Ni4 cuboctahedra, faces with four equivalent Ni(1)Zn12 cuboctahedra, and faces with sixteen equivalent Zn(1)Zn8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Zn3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.244
_cell_length_b   5.244
_cell_length_c   4.236
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   100.907
_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
  Zn  Zn0  1  0.829  0.171  0.750  1.0
  Zn  Zn1  1  0.341  0.171  0.750  1.0
  Zn  Zn2  1  0.829  0.659  0.750  1.0
  Zn  Zn3  1  0.171  0.829  0.250  1.0
  Zn  Zn4  1  0.659  0.829  0.250  1.0
  Zn  Zn5  1  0.171  0.341  0.250  1.0
  Ni  Ni6  1  0.333  0.667  0.750  1.0
  Ni  Ni7  1  0.667  0.333  0.250  1.0
[/CIF]
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