The material described by Cu8Hf3 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 13-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), two equivalent Cu(6), four equivalent Cu(4), and four equivalent Cu(5) atoms. In the second Hf site, Hf(2) is bonded in a 12-coordinate geometry to one Cu(2), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), two equivalent Cu(6), and three equivalent Cu(5) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(5) is bonded in a 12-coordinate geometry to two equivalent Hf(1), three equivalent Hf(2), one Cu(1), one Cu(2), one Cu(3), one Cu(6), and three equivalent Cu(4) atoms. In the second Cu site, Cu(6) is bonded in a 11-coordinate geometry to two equivalent Hf(1), four equivalent Hf(2), one Cu(1), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the third Cu site, Cu(1) is bonded to one Hf(1), four equivalent Hf(2), one Cu(2), one Cu(3), one Cu(6), two equivalent Cu(4), and two equivalent Cu(5) atoms to form CuHf5Cu7 cuboctahedra that share corners with five equivalent Cu(2)Hf3Cu9 cuboctahedra, edges with two equivalent Cu(1)Hf5Cu7 cuboctahedra, and faces with two equivalent Cu(2)Hf3Cu9 cuboctahedra. In the fourth Cu site, Cu(2) is bonded to one Hf(1), two equivalent Hf(2), one Cu(1), two equivalent Cu(3), two equivalent Cu(5), and four equivalent Cu(4) atoms to form distorted CuHf3Cu9 cuboctahedra that share corners with five equivalent Cu(1)Hf5Cu7 cuboctahedra, faces with two equivalent Cu(2)Hf3Cu9 cuboctahedra, and faces with two equivalent Cu(1)Hf5Cu7 cuboctahedra. In the fifth Cu site, Cu(3) is bonded in a 12-coordinate geometry to one Hf(1), four equivalent Hf(2), one Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the sixth Cu site, Cu(4) is bonded in a 13-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), one Cu(1), one Cu(3), one Cu(4), one Cu(6), two equivalent Cu(2), and three equivalent Cu(5) atoms. is represented by the CIF file [CIF]
data_Hf3Cu8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.748
_cell_length_b   8.033
_cell_length_c   9.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   613.990
_cell_formula_units_Z   4
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  0.041  0.750  0.547  1.0
  Hf  Hf1  1  0.541  0.750  0.953  1.0
  Hf  Hf2  1  0.959  0.250  0.453  1.0
  Hf  Hf3  1  0.459  0.250  0.047  1.0
  Hf  Hf4  1  0.562  0.446  0.359  1.0
  Hf  Hf5  1  0.062  0.054  0.141  1.0
  Hf  Hf6  1  0.438  0.946  0.641  1.0
  Hf  Hf7  1  0.938  0.554  0.859  1.0
  Hf  Hf8  1  0.438  0.554  0.641  1.0
  Hf  Hf9  1  0.938  0.946  0.859  1.0
  Hf  Hf10  1  0.562  0.054  0.359  1.0
  Hf  Hf11  1  0.062  0.446  0.141  1.0
  Cu  Cu12  1  0.176  0.750  0.017  1.0
  Cu  Cu13  1  0.676  0.750  0.483  1.0
  Cu  Cu14  1  0.824  0.250  0.983  1.0
  Cu  Cu15  1  0.324  0.250  0.517  1.0
  Cu  Cu16  1  0.130  0.750  0.266  1.0
  Cu  Cu17  1  0.630  0.750  0.234  1.0
  Cu  Cu18  1  0.870  0.250  0.734  1.0
  Cu  Cu19  1  0.370  0.250  0.766  1.0
  Cu  Cu20  1  0.384  0.750  0.403  1.0
  Cu  Cu21  1  0.884  0.750  0.097  1.0
  Cu  Cu22  1  0.616  0.250  0.597  1.0
  Cu  Cu23  1  0.116  0.250  0.903  1.0
  Cu  Cu24  1  0.379  0.578  0.160  1.0
  Cu  Cu25  1  0.879  0.922  0.340  1.0
  Cu  Cu26  1  0.621  0.078  0.840  1.0
  Cu  Cu27  1  0.121  0.422  0.660  1.0
  Cu  Cu28  1  0.621  0.422  0.840  1.0
  Cu  Cu29  1  0.121  0.078  0.660  1.0
  Cu  Cu30  1  0.379  0.922  0.160  1.0
  Cu  Cu31  1  0.879  0.578  0.340  1.0
  Cu  Cu32  1  0.199  0.499  0.407  1.0
  Cu  Cu33  1  0.699  0.001  0.093  1.0
  Cu  Cu34  1  0.801  0.999  0.593  1.0
  Cu  Cu35  1  0.301  0.501  0.907  1.0
  Cu  Cu36  1  0.801  0.501  0.593  1.0
  Cu  Cu37  1  0.301  0.999  0.907  1.0
  Cu  Cu38  1  0.199  0.001  0.407  1.0
  Cu  Cu39  1  0.699  0.499  0.093  1.0
  Cu  Cu40  1  0.284  0.250  0.274  1.0
  Cu  Cu41  1  0.784  0.250  0.226  1.0
  Cu  Cu42  1  0.716  0.750  0.726  1.0
  Cu  Cu43  1  0.216  0.750  0.774  1.0
[/CIF]
.
The material described by Cu8Hf3 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 13-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), two equivalent Cu(6), four equivalent Cu(4), and four equivalent Cu(5) atoms. In the second Hf site, Hf(2) is bonded in a 12-coordinate geometry to one Cu(2), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), two equivalent Cu(6), and three equivalent Cu(5) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(5) is bonded in a 12-coordinate geometry to two equivalent Hf(1), three equivalent Hf(2), one Cu(1), one Cu(2), one Cu(3), one Cu(6), and three equivalent Cu(4) atoms. In the second Cu site, Cu(6) is bonded in a 11-coordinate geometry to two equivalent Hf(1), four equivalent Hf(2), one Cu(1), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the third Cu site, Cu(1) is bonded to one Hf(1), four equivalent Hf(2), one Cu(2), one Cu(3), one Cu(6), two equivalent Cu(4), and two equivalent Cu(5) atoms to form CuHf5Cu7 cuboctahedra that share corners with five equivalent Cu(2)Hf3Cu9 cuboctahedra, edges with two equivalent Cu(1)Hf5Cu7 cuboctahedra, and faces with two equivalent Cu(2)Hf3Cu9 cuboctahedra. In the fourth Cu site, Cu(2) is bonded to one Hf(1), two equivalent Hf(2), one Cu(1), two equivalent Cu(3), two equivalent Cu(5), and four equivalent Cu(4) atoms to form distorted CuHf3Cu9 cuboctahedra that share corners with five equivalent Cu(1)Hf5Cu7 cuboctahedra, faces with two equivalent Cu(2)Hf3Cu9 cuboctahedra, and faces with two equivalent Cu(1)Hf5Cu7 cuboctahedra. In the fifth Cu site, Cu(3) is bonded in a 12-coordinate geometry to one Hf(1), four equivalent Hf(2), one Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the sixth Cu site, Cu(4) is bonded in a 13-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), one Cu(1), one Cu(3), one Cu(4), one Cu(6), two equivalent Cu(2), and three equivalent Cu(5) atoms. is represented by the CIF file [CIF]
data_Hf3Cu8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.748
_cell_length_b   8.033
_cell_length_c   9.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   613.990
_cell_formula_units_Z   4
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  0.041  0.750  0.547  1.0
  Hf  Hf1  1  0.541  0.750  0.953  1.0
  Hf  Hf2  1  0.959  0.250  0.453  1.0
  Hf  Hf3  1  0.459  0.250  0.047  1.0
  Hf  Hf4  1  0.562  0.446  0.359  1.0
  Hf  Hf5  1  0.062  0.054  0.141  1.0
  Hf  Hf6  1  0.438  0.946  0.641  1.0
  Hf  Hf7  1  0.938  0.554  0.859  1.0
  Hf  Hf8  1  0.438  0.554  0.641  1.0
  Hf  Hf9  1  0.938  0.946  0.859  1.0
  Hf  Hf10  1  0.562  0.054  0.359  1.0
  Hf  Hf11  1  0.062  0.446  0.141  1.0
  Cu  Cu12  1  0.176  0.750  0.017  1.0
  Cu  Cu13  1  0.676  0.750  0.483  1.0
  Cu  Cu14  1  0.824  0.250  0.983  1.0
  Cu  Cu15  1  0.324  0.250  0.517  1.0
  Cu  Cu16  1  0.130  0.750  0.266  1.0
  Cu  Cu17  1  0.630  0.750  0.234  1.0
  Cu  Cu18  1  0.870  0.250  0.734  1.0
  Cu  Cu19  1  0.370  0.250  0.766  1.0
  Cu  Cu20  1  0.384  0.750  0.403  1.0
  Cu  Cu21  1  0.884  0.750  0.097  1.0
  Cu  Cu22  1  0.616  0.250  0.597  1.0
  Cu  Cu23  1  0.116  0.250  0.903  1.0
  Cu  Cu24  1  0.379  0.578  0.160  1.0
  Cu  Cu25  1  0.879  0.922  0.340  1.0
  Cu  Cu26  1  0.621  0.078  0.840  1.0
  Cu  Cu27  1  0.121  0.422  0.660  1.0
  Cu  Cu28  1  0.621  0.422  0.840  1.0
  Cu  Cu29  1  0.121  0.078  0.660  1.0
  Cu  Cu30  1  0.379  0.922  0.160  1.0
  Cu  Cu31  1  0.879  0.578  0.340  1.0
  Cu  Cu32  1  0.199  0.499  0.407  1.0
  Cu  Cu33  1  0.699  0.001  0.093  1.0
  Cu  Cu34  1  0.801  0.999  0.593  1.0
  Cu  Cu35  1  0.301  0.501  0.907  1.0
  Cu  Cu36  1  0.801  0.501  0.593  1.0
  Cu  Cu37  1  0.301  0.999  0.907  1.0
  Cu  Cu38  1  0.199  0.001  0.407  1.0
  Cu  Cu39  1  0.699  0.499  0.093  1.0
  Cu  Cu40  1  0.284  0.250  0.274  1.0
  Cu  Cu41  1  0.784  0.250  0.226  1.0
  Cu  Cu42  1  0.716  0.750  0.726  1.0
  Cu  Cu43  1  0.216  0.750  0.774  1.0
[/CIF]
.