The compound described by Cu10Zr7 crystallizes in the orthorhombic Cmce space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Cu(3), four equivalent Cu(1), and four equivalent Cu(2) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to four equivalent Cu(1) and four equivalent Cu(2) atoms. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to three equivalent Cu(3), four equivalent Cu(1), and four equivalent Cu(2) atoms. In the fourth Zr site, Zr(4) is bonded in a distorted body-centered cubic geometry to four equivalent Cu(1) and four equivalent Cu(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 11-coordinate geometry to one Zr(4), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. In the second Cu site, Cu(3) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), one Cu(3), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the third Cu site, Cu(1) is bonded in a 11-coordinate geometry to one Zr(4), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), one Cu(1), one Cu(3), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Zr7Cu10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.310
_cell_length_b   7.857
_cell_length_c   7.857
_cell_angle_alpha   72.373
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   547.678
_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
  Zr  Zr0  1  0.500  0.757  0.757  1.0
  Zr  Zr1  1  0.000  0.257  0.257  1.0
  Zr  Zr2  1  0.750  0.931  0.461  1.0
  Zr  Zr3  1  0.250  0.461  0.931  1.0
  Zr  Zr4  1  0.750  0.431  0.961  1.0
  Zr  Zr5  1  0.250  0.961  0.431  1.0
  Zr  Zr6  1  0.807  0.636  0.256  1.0
  Zr  Zr7  1  0.193  0.256  0.636  1.0
  Zr  Zr8  1  0.693  0.136  0.756  1.0
  Zr  Zr9  1  0.307  0.756  0.136  1.0
  Zr  Zr10  1  0.500  0.446  0.446  1.0
  Zr  Zr11  1  0.000  0.946  0.946  1.0
  Zr  Zr12  1  0.500  0.135  0.135  1.0
  Zr  Zr13  1  0.000  0.635  0.635  1.0
  Cu  Cu14  1  0.796  0.073  0.111  1.0
  Cu  Cu15  1  0.204  0.111  0.073  1.0
  Cu  Cu16  1  0.704  0.573  0.611  1.0
  Cu  Cu17  1  0.296  0.611  0.573  1.0
  Cu  Cu18  1  0.704  0.281  0.319  1.0
  Cu  Cu19  1  0.296  0.319  0.281  1.0
  Cu  Cu20  1  0.796  0.781  0.819  1.0
  Cu  Cu21  1  0.204  0.819  0.781  1.0
  Cu  Cu22  1  0.508  0.796  0.389  1.0
  Cu  Cu23  1  0.492  0.389  0.796  1.0
  Cu  Cu24  1  0.992  0.296  0.889  1.0
  Cu  Cu25  1  0.008  0.889  0.296  1.0
  Cu  Cu26  1  0.508  0.503  0.096  1.0
  Cu  Cu27  1  0.492  0.096  0.503  1.0
  Cu  Cu28  1  0.992  0.003  0.596  1.0
  Cu  Cu29  1  0.008  0.596  0.003  1.0
  Cu  Cu30  1  0.603  0.840  0.053  1.0
  Cu  Cu31  1  0.397  0.053  0.840  1.0
  Cu  Cu32  1  0.897  0.340  0.553  1.0
  Cu  Cu33  1  0.103  0.553  0.340  1.0
[/CIF]
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The compound described by Cu10Zr7 crystallizes in the orthorhombic Cmce space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Cu(3), four equivalent Cu(1), and four equivalent Cu(2) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to four equivalent Cu(1) and four equivalent Cu(2) atoms. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to three equivalent Cu(3), four equivalent Cu(1), and four equivalent Cu(2) atoms. In the fourth Zr site, Zr(4) is bonded in a distorted body-centered cubic geometry to four equivalent Cu(1) and four equivalent Cu(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 11-coordinate geometry to one Zr(4), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. In the second Cu site, Cu(3) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), one Cu(3), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the third Cu site, Cu(1) is bonded in a 11-coordinate geometry to one Zr(4), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), one Cu(1), one Cu(3), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Zr7Cu10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.310
_cell_length_b   7.857
_cell_length_c   7.857
_cell_angle_alpha   72.373
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   547.678
_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
  Zr  Zr0  1  0.500  0.757  0.757  1.0
  Zr  Zr1  1  0.000  0.257  0.257  1.0
  Zr  Zr2  1  0.750  0.931  0.461  1.0
  Zr  Zr3  1  0.250  0.461  0.931  1.0
  Zr  Zr4  1  0.750  0.431  0.961  1.0
  Zr  Zr5  1  0.250  0.961  0.431  1.0
  Zr  Zr6  1  0.807  0.636  0.256  1.0
  Zr  Zr7  1  0.193  0.256  0.636  1.0
  Zr  Zr8  1  0.693  0.136  0.756  1.0
  Zr  Zr9  1  0.307  0.756  0.136  1.0
  Zr  Zr10  1  0.500  0.446  0.446  1.0
  Zr  Zr11  1  0.000  0.946  0.946  1.0
  Zr  Zr12  1  0.500  0.135  0.135  1.0
  Zr  Zr13  1  0.000  0.635  0.635  1.0
  Cu  Cu14  1  0.796  0.073  0.111  1.0
  Cu  Cu15  1  0.204  0.111  0.073  1.0
  Cu  Cu16  1  0.704  0.573  0.611  1.0
  Cu  Cu17  1  0.296  0.611  0.573  1.0
  Cu  Cu18  1  0.704  0.281  0.319  1.0
  Cu  Cu19  1  0.296  0.319  0.281  1.0
  Cu  Cu20  1  0.796  0.781  0.819  1.0
  Cu  Cu21  1  0.204  0.819  0.781  1.0
  Cu  Cu22  1  0.508  0.796  0.389  1.0
  Cu  Cu23  1  0.492  0.389  0.796  1.0
  Cu  Cu24  1  0.992  0.296  0.889  1.0
  Cu  Cu25  1  0.008  0.889  0.296  1.0
  Cu  Cu26  1  0.508  0.503  0.096  1.0
  Cu  Cu27  1  0.492  0.096  0.503  1.0
  Cu  Cu28  1  0.992  0.003  0.596  1.0
  Cu  Cu29  1  0.008  0.596  0.003  1.0
  Cu  Cu30  1  0.603  0.840  0.053  1.0
  Cu  Cu31  1  0.397  0.053  0.840  1.0
  Cu  Cu32  1  0.897  0.340  0.553  1.0
  Cu  Cu33  1  0.103  0.553  0.340  1.0
[/CIF]
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