The crystal structure described by Hf6Cu7Zn16 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Cu(2), four equivalent Zn(1), and four equivalent Zn(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded to four equivalent Hf(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of distorted face and corner-sharing CuHf4Zn8 cuboctahedra. In the second Cu site, Cu(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1), three equivalent Cu(2), and three equivalent Zn(1) atoms. In the second Zn site, Zn(1) is bonded in a 13-coordinate geometry to three equivalent Hf(1), one Cu(1), three equivalent Cu(2), three equivalent Zn(1), and three equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_Hf6Zn16Cu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.530
_cell_length_b   8.530
_cell_length_c   8.530
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   438.862
_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
  Hf  Hf0  1  0.692  0.308  0.308  1.0
  Hf  Hf1  1  0.692  0.308  0.692  1.0
  Hf  Hf2  1  0.692  0.692  0.308  1.0
  Hf  Hf3  1  0.308  0.692  0.692  1.0
  Hf  Hf4  1  0.308  0.692  0.308  1.0
  Hf  Hf5  1  0.308  0.308  0.692  1.0
  Zn  Zn6  1  0.641  0.120  0.120  1.0
  Zn  Zn7  1  0.120  0.641  0.120  1.0
  Zn  Zn8  1  0.120  0.120  0.641  1.0
  Zn  Zn9  1  0.120  0.120  0.120  1.0
  Zn  Zn10  1  0.359  0.880  0.880  1.0
  Zn  Zn11  1  0.880  0.359  0.880  1.0
  Zn  Zn12  1  0.880  0.880  0.359  1.0
  Zn  Zn13  1  0.880  0.880  0.880  1.0
  Zn  Zn14  1  0.998  0.334  0.334  1.0
  Zn  Zn15  1  0.334  0.998  0.334  1.0
  Zn  Zn16  1  0.334  0.334  0.998  1.0
  Zn  Zn17  1  0.334  0.334  0.334  1.0
  Zn  Zn18  1  0.002  0.666  0.666  1.0
  Zn  Zn19  1  0.666  0.002  0.666  1.0
  Zn  Zn20  1  0.666  0.666  0.002  1.0
  Zn  Zn21  1  0.666  0.666  0.666  1.0
  Cu  Cu22  1  0.000  0.000  0.000  1.0
  Cu  Cu23  1  0.500  0.000  0.000  1.0
  Cu  Cu24  1  0.500  0.000  0.500  1.0
  Cu  Cu25  1  0.500  0.500  0.000  1.0
  Cu  Cu26  1  0.000  0.500  0.500  1.0
  Cu  Cu27  1  0.000  0.500  0.000  1.0
  Cu  Cu28  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Hf6Cu7Zn16 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Cu(2), four equivalent Zn(1), and four equivalent Zn(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded to four equivalent Hf(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of distorted face and corner-sharing CuHf4Zn8 cuboctahedra. In the second Cu site, Cu(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1), three equivalent Cu(2), and three equivalent Zn(1) atoms. In the second Zn site, Zn(1) is bonded in a 13-coordinate geometry to three equivalent Hf(1), one Cu(1), three equivalent Cu(2), three equivalent Zn(1), and three equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_Hf6Zn16Cu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.530
_cell_length_b   8.530
_cell_length_c   8.530
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   438.862
_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
  Hf  Hf0  1  0.692  0.308  0.308  1.0
  Hf  Hf1  1  0.692  0.308  0.692  1.0
  Hf  Hf2  1  0.692  0.692  0.308  1.0
  Hf  Hf3  1  0.308  0.692  0.692  1.0
  Hf  Hf4  1  0.308  0.692  0.308  1.0
  Hf  Hf5  1  0.308  0.308  0.692  1.0
  Zn  Zn6  1  0.641  0.120  0.120  1.0
  Zn  Zn7  1  0.120  0.641  0.120  1.0
  Zn  Zn8  1  0.120  0.120  0.641  1.0
  Zn  Zn9  1  0.120  0.120  0.120  1.0
  Zn  Zn10  1  0.359  0.880  0.880  1.0
  Zn  Zn11  1  0.880  0.359  0.880  1.0
  Zn  Zn12  1  0.880  0.880  0.359  1.0
  Zn  Zn13  1  0.880  0.880  0.880  1.0
  Zn  Zn14  1  0.998  0.334  0.334  1.0
  Zn  Zn15  1  0.334  0.998  0.334  1.0
  Zn  Zn16  1  0.334  0.334  0.998  1.0
  Zn  Zn17  1  0.334  0.334  0.334  1.0
  Zn  Zn18  1  0.002  0.666  0.666  1.0
  Zn  Zn19  1  0.666  0.002  0.666  1.0
  Zn  Zn20  1  0.666  0.666  0.002  1.0
  Zn  Zn21  1  0.666  0.666  0.666  1.0
  Cu  Cu22  1  0.000  0.000  0.000  1.0
  Cu  Cu23  1  0.500  0.000  0.000  1.0
  Cu  Cu24  1  0.500  0.000  0.500  1.0
  Cu  Cu25  1  0.500  0.500  0.000  1.0
  Cu  Cu26  1  0.000  0.500  0.500  1.0
  Cu  Cu27  1  0.000  0.500  0.000  1.0
  Cu  Cu28  1  0.000  0.000  0.500  1.0
[/CIF]
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