The material described by Dy6Cu23 crystallizes in the cubic Fm-3m space group. Dy(1) is bonded in a 12-coordinate geometry to four equivalent Cu(2), four equivalent Cu(3), and four equivalent Cu(4) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(4) is bonded in a distorted q6 geometry to three equivalent Dy(1), three equivalent Cu(2), three equivalent Cu(3), and three equivalent Cu(4) atoms. In the second Cu site, Cu(1) is bonded in a body-centered cubic geometry to eight equivalent Cu(3) atoms. In the third Cu site, Cu(2) is bonded to four equivalent Dy(1), four equivalent Cu(3), and four equivalent Cu(4) atoms to form a mixture of face and corner-sharing CuDy4Cu8 cuboctahedra. In the fourth Cu site, Cu(3) is bonded in a 13-coordinate geometry to three equivalent Dy(1), one Cu(1), three equivalent Cu(2), three equivalent Cu(3), and three equivalent Cu(4) atoms. is represented by the CIF file [CIF]
data_Dy6Cu23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.501
_cell_length_b   8.501
_cell_length_c   8.501
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   434.457
_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
  Dy  Dy0  1  0.715  0.715  0.285  1.0
  Dy  Dy1  1  0.285  0.715  0.285  1.0
  Dy  Dy2  1  0.715  0.285  0.285  1.0
  Dy  Dy3  1  0.285  0.285  0.715  1.0
  Dy  Dy4  1  0.715  0.285  0.715  1.0
  Dy  Dy5  1  0.285  0.715  0.715  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  Cu  Cu8  1  0.500  0.000  0.500  1.0
  Cu  Cu9  1  0.000  0.500  0.500  1.0
  Cu  Cu10  1  0.500  0.500  0.000  1.0
  Cu  Cu11  1  0.000  0.500  0.000  1.0
  Cu  Cu12  1  0.500  0.000  0.000  1.0
  Cu  Cu13  1  0.877  0.877  0.368  1.0
  Cu  Cu14  1  0.877  0.368  0.877  1.0
  Cu  Cu15  1  0.368  0.877  0.877  1.0
  Cu  Cu16  1  0.877  0.877  0.877  1.0
  Cu  Cu17  1  0.123  0.123  0.632  1.0
  Cu  Cu18  1  0.123  0.632  0.123  1.0
  Cu  Cu19  1  0.632  0.123  0.123  1.0
  Cu  Cu20  1  0.123  0.123  0.123  1.0
  Cu  Cu21  1  0.675  0.675  0.976  1.0
  Cu  Cu22  1  0.675  0.976  0.675  1.0
  Cu  Cu23  1  0.976  0.675  0.675  1.0
  Cu  Cu24  1  0.675  0.675  0.675  1.0
  Cu  Cu25  1  0.325  0.325  0.024  1.0
  Cu  Cu26  1  0.325  0.024  0.325  1.0
  Cu  Cu27  1  0.024  0.325  0.325  1.0
  Cu  Cu28  1  0.325  0.325  0.325  1.0
[/CIF]
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The material described by Dy6Cu23 crystallizes in the cubic Fm-3m space group. Dy(1) is bonded in a 12-coordinate geometry to four equivalent Cu(2), four equivalent Cu(3), and four equivalent Cu(4) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(4) is bonded in a distorted q6 geometry to three equivalent Dy(1), three equivalent Cu(2), three equivalent Cu(3), and three equivalent Cu(4) atoms. In the second Cu site, Cu(1) is bonded in a body-centered cubic geometry to eight equivalent Cu(3) atoms. In the third Cu site, Cu(2) is bonded to four equivalent Dy(1), four equivalent Cu(3), and four equivalent Cu(4) atoms to form a mixture of face and corner-sharing CuDy4Cu8 cuboctahedra. In the fourth Cu site, Cu(3) is bonded in a 13-coordinate geometry to three equivalent Dy(1), one Cu(1), three equivalent Cu(2), three equivalent Cu(3), and three equivalent Cu(4) atoms. is represented by the CIF file [CIF]
data_Dy6Cu23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.501
_cell_length_b   8.501
_cell_length_c   8.501
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   434.457
_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
  Dy  Dy0  1  0.715  0.715  0.285  1.0
  Dy  Dy1  1  0.285  0.715  0.285  1.0
  Dy  Dy2  1  0.715  0.285  0.285  1.0
  Dy  Dy3  1  0.285  0.285  0.715  1.0
  Dy  Dy4  1  0.715  0.285  0.715  1.0
  Dy  Dy5  1  0.285  0.715  0.715  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  Cu  Cu8  1  0.500  0.000  0.500  1.0
  Cu  Cu9  1  0.000  0.500  0.500  1.0
  Cu  Cu10  1  0.500  0.500  0.000  1.0
  Cu  Cu11  1  0.000  0.500  0.000  1.0
  Cu  Cu12  1  0.500  0.000  0.000  1.0
  Cu  Cu13  1  0.877  0.877  0.368  1.0
  Cu  Cu14  1  0.877  0.368  0.877  1.0
  Cu  Cu15  1  0.368  0.877  0.877  1.0
  Cu  Cu16  1  0.877  0.877  0.877  1.0
  Cu  Cu17  1  0.123  0.123  0.632  1.0
  Cu  Cu18  1  0.123  0.632  0.123  1.0
  Cu  Cu19  1  0.632  0.123  0.123  1.0
  Cu  Cu20  1  0.123  0.123  0.123  1.0
  Cu  Cu21  1  0.675  0.675  0.976  1.0
  Cu  Cu22  1  0.675  0.976  0.675  1.0
  Cu  Cu23  1  0.976  0.675  0.675  1.0
  Cu  Cu24  1  0.675  0.675  0.675  1.0
  Cu  Cu25  1  0.325  0.325  0.024  1.0
  Cu  Cu26  1  0.325  0.024  0.325  1.0
  Cu  Cu27  1  0.024  0.325  0.325  1.0
  Cu  Cu28  1  0.325  0.325  0.325  1.0
[/CIF]
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