The compound described by Cu8Zr3 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to one Cu(5), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), two equivalent Cu(6), and three equivalent Cu(2) atoms. In the second Zr site, Zr(2) is bonded in a 13-coordinate geometry to one Cu(4), one Cu(5), one Cu(6), two equivalent Cu(3), four equivalent Cu(1), and four equivalent Cu(2) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(4) is bonded to one Zr(2), four equivalent Zr(1), one Cu(6), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(5) atoms to form a mixture of distorted face, corner, and edge-sharing CuZr5Cu7 cuboctahedra. In the second Cu site, Cu(5) is bonded in a distorted q6 geometry to one Zr(2), two equivalent Zr(1), one Cu(6), two equivalent Cu(2), two equivalent Cu(4), and four equivalent Cu(1) atoms. In the third Cu site, Cu(6) is bonded to one Zr(2), four equivalent Zr(1), one Cu(3), one Cu(4), one Cu(5), two equivalent Cu(1), and two equivalent Cu(2) atoms to form a mixture of face, corner, and edge-sharing CuZr5Cu7 cuboctahedra. In the fourth Cu site, Cu(1) is bonded in a 13-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Cu(1), one Cu(3), one Cu(4), one Cu(6), two equivalent Cu(5), and three equivalent Cu(2) atoms. In the fifth Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Zr(2), three equivalent Zr(1), one Cu(3), one Cu(4), one Cu(5), one Cu(6), and three equivalent Cu(1) atoms. In the sixth Cu site, Cu(3) is bonded in a 11-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), one Cu(6), two equivalent Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Zr3Cu8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.950
_cell_length_b   8.229
_cell_length_c   10.084
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   659.735
_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
  Zr  Zr0  1  0.563  0.447  0.360  1.0
  Zr  Zr1  1  0.063  0.053  0.140  1.0
  Zr  Zr2  1  0.437  0.947  0.640  1.0
  Zr  Zr3  1  0.937  0.553  0.860  1.0
  Zr  Zr4  1  0.437  0.553  0.640  1.0
  Zr  Zr5  1  0.937  0.947  0.860  1.0
  Zr  Zr6  1  0.563  0.053  0.360  1.0
  Zr  Zr7  1  0.063  0.447  0.140  1.0
  Zr  Zr8  1  0.961  0.250  0.454  1.0
  Zr  Zr9  1  0.461  0.250  0.046  1.0
  Zr  Zr10  1  0.039  0.750  0.546  1.0
  Zr  Zr11  1  0.539  0.750  0.954  1.0
  Cu  Cu12  1  0.879  0.577  0.340  1.0
  Cu  Cu13  1  0.379  0.923  0.160  1.0
  Cu  Cu14  1  0.121  0.077  0.660  1.0
  Cu  Cu15  1  0.621  0.423  0.840  1.0
  Cu  Cu16  1  0.121  0.423  0.660  1.0
  Cu  Cu17  1  0.621  0.077  0.840  1.0
  Cu  Cu18  1  0.879  0.923  0.340  1.0
  Cu  Cu19  1  0.379  0.577  0.160  1.0
  Cu  Cu20  1  0.699  0.499  0.094  1.0
  Cu  Cu21  1  0.199  0.001  0.406  1.0
  Cu  Cu22  1  0.301  0.999  0.906  1.0
  Cu  Cu23  1  0.801  0.501  0.594  1.0
  Cu  Cu24  1  0.301  0.501  0.906  1.0
  Cu  Cu25  1  0.801  0.999  0.594  1.0
  Cu  Cu26  1  0.699  0.001  0.094  1.0
  Cu  Cu27  1  0.199  0.499  0.406  1.0
  Cu  Cu28  1  0.785  0.250  0.226  1.0
  Cu  Cu29  1  0.285  0.250  0.274  1.0
  Cu  Cu30  1  0.215  0.750  0.774  1.0
  Cu  Cu31  1  0.715  0.750  0.726  1.0
  Cu  Cu32  1  0.617  0.250  0.598  1.0
  Cu  Cu33  1  0.117  0.250  0.902  1.0
  Cu  Cu34  1  0.383  0.750  0.402  1.0
  Cu  Cu35  1  0.883  0.750  0.098  1.0
  Cu  Cu36  1  0.869  0.250  0.735  1.0
  Cu  Cu37  1  0.369  0.250  0.765  1.0
  Cu  Cu38  1  0.131  0.750  0.265  1.0
  Cu  Cu39  1  0.631  0.750  0.235  1.0
  Cu  Cu40  1  0.823  0.250  0.983  1.0
  Cu  Cu41  1  0.323  0.250  0.517  1.0
  Cu  Cu42  1  0.177  0.750  0.017  1.0
  Cu  Cu43  1  0.677  0.750  0.483  1.0
[/CIF]
.
The compound described by Cu8Zr3 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to one Cu(5), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), two equivalent Cu(6), and three equivalent Cu(2) atoms. In the second Zr site, Zr(2) is bonded in a 13-coordinate geometry to one Cu(4), one Cu(5), one Cu(6), two equivalent Cu(3), four equivalent Cu(1), and four equivalent Cu(2) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(4) is bonded to one Zr(2), four equivalent Zr(1), one Cu(6), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(5) atoms to form a mixture of distorted face, corner, and edge-sharing CuZr5Cu7 cuboctahedra. In the second Cu site, Cu(5) is bonded in a distorted q6 geometry to one Zr(2), two equivalent Zr(1), one Cu(6), two equivalent Cu(2), two equivalent Cu(4), and four equivalent Cu(1) atoms. In the third Cu site, Cu(6) is bonded to one Zr(2), four equivalent Zr(1), one Cu(3), one Cu(4), one Cu(5), two equivalent Cu(1), and two equivalent Cu(2) atoms to form a mixture of face, corner, and edge-sharing CuZr5Cu7 cuboctahedra. In the fourth Cu site, Cu(1) is bonded in a 13-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Cu(1), one Cu(3), one Cu(4), one Cu(6), two equivalent Cu(5), and three equivalent Cu(2) atoms. In the fifth Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Zr(2), three equivalent Zr(1), one Cu(3), one Cu(4), one Cu(5), one Cu(6), and three equivalent Cu(1) atoms. In the sixth Cu site, Cu(3) is bonded in a 11-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), one Cu(6), two equivalent Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Zr3Cu8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.950
_cell_length_b   8.229
_cell_length_c   10.084
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   659.735
_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
  Zr  Zr0  1  0.563  0.447  0.360  1.0
  Zr  Zr1  1  0.063  0.053  0.140  1.0
  Zr  Zr2  1  0.437  0.947  0.640  1.0
  Zr  Zr3  1  0.937  0.553  0.860  1.0
  Zr  Zr4  1  0.437  0.553  0.640  1.0
  Zr  Zr5  1  0.937  0.947  0.860  1.0
  Zr  Zr6  1  0.563  0.053  0.360  1.0
  Zr  Zr7  1  0.063  0.447  0.140  1.0
  Zr  Zr8  1  0.961  0.250  0.454  1.0
  Zr  Zr9  1  0.461  0.250  0.046  1.0
  Zr  Zr10  1  0.039  0.750  0.546  1.0
  Zr  Zr11  1  0.539  0.750  0.954  1.0
  Cu  Cu12  1  0.879  0.577  0.340  1.0
  Cu  Cu13  1  0.379  0.923  0.160  1.0
  Cu  Cu14  1  0.121  0.077  0.660  1.0
  Cu  Cu15  1  0.621  0.423  0.840  1.0
  Cu  Cu16  1  0.121  0.423  0.660  1.0
  Cu  Cu17  1  0.621  0.077  0.840  1.0
  Cu  Cu18  1  0.879  0.923  0.340  1.0
  Cu  Cu19  1  0.379  0.577  0.160  1.0
  Cu  Cu20  1  0.699  0.499  0.094  1.0
  Cu  Cu21  1  0.199  0.001  0.406  1.0
  Cu  Cu22  1  0.301  0.999  0.906  1.0
  Cu  Cu23  1  0.801  0.501  0.594  1.0
  Cu  Cu24  1  0.301  0.501  0.906  1.0
  Cu  Cu25  1  0.801  0.999  0.594  1.0
  Cu  Cu26  1  0.699  0.001  0.094  1.0
  Cu  Cu27  1  0.199  0.499  0.406  1.0
  Cu  Cu28  1  0.785  0.250  0.226  1.0
  Cu  Cu29  1  0.285  0.250  0.274  1.0
  Cu  Cu30  1  0.215  0.750  0.774  1.0
  Cu  Cu31  1  0.715  0.750  0.726  1.0
  Cu  Cu32  1  0.617  0.250  0.598  1.0
  Cu  Cu33  1  0.117  0.250  0.902  1.0
  Cu  Cu34  1  0.383  0.750  0.402  1.0
  Cu  Cu35  1  0.883  0.750  0.098  1.0
  Cu  Cu36  1  0.869  0.250  0.735  1.0
  Cu  Cu37  1  0.369  0.250  0.765  1.0
  Cu  Cu38  1  0.131  0.750  0.265  1.0
  Cu  Cu39  1  0.631  0.750  0.235  1.0
  Cu  Cu40  1  0.823  0.250  0.983  1.0
  Cu  Cu41  1  0.323  0.250  0.517  1.0
  Cu  Cu42  1  0.177  0.750  0.017  1.0
  Cu  Cu43  1  0.677  0.750  0.483  1.0
[/CIF]
.