The compound described by Y6Zn23 crystallizes in the cubic Fm-3m space group. Y(1) is bonded in a 12-coordinate geometry to four equivalent Zn(2), four equivalent Zn(3), and four equivalent Zn(4) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(4) is bonded in a distorted q6 geometry to three equivalent Y(1), three equivalent Zn(2), three equivalent Zn(3), and three equivalent Zn(4) atoms. In the second Zn site, Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(3) atoms. In the third Zn site, Zn(2) is bonded to four equivalent Y(1), four equivalent Zn(3), and four equivalent Zn(4) atoms to form a mixture of face and corner-sharing ZnY4Zn8 cuboctahedra. In the fourth Zn site, Zn(3) is bonded in a 10-coordinate geometry to three equivalent Y(1), one Zn(1), three equivalent Zn(2), and three equivalent Zn(4) atoms. is represented by the CIF file [CIF]
data_Y6Zn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.891
_cell_length_b   8.891
_cell_length_c   8.891
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   496.899
_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
  Y  Y0  1  0.708  0.708  0.292  1.0
  Y  Y1  1  0.292  0.708  0.292  1.0
  Y  Y2  1  0.708  0.292  0.292  1.0
  Y  Y3  1  0.292  0.292  0.708  1.0
  Y  Y4  1  0.708  0.292  0.708  1.0
  Y  Y5  1  0.292  0.708  0.708  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Zn  Zn7  1  0.000  0.000  0.500  1.0
  Zn  Zn8  1  0.500  0.000  0.500  1.0
  Zn  Zn9  1  0.000  0.500  0.500  1.0
  Zn  Zn10  1  0.500  0.500  0.000  1.0
  Zn  Zn11  1  0.000  0.500  0.000  1.0
  Zn  Zn12  1  0.500  0.000  0.000  1.0
  Zn  Zn13  1  0.876  0.876  0.371  1.0
  Zn  Zn14  1  0.876  0.371  0.876  1.0
  Zn  Zn15  1  0.371  0.876  0.876  1.0
  Zn  Zn16  1  0.876  0.876  0.876  1.0
  Zn  Zn17  1  0.124  0.124  0.629  1.0
  Zn  Zn18  1  0.124  0.629  0.124  1.0
  Zn  Zn19  1  0.629  0.124  0.124  1.0
  Zn  Zn20  1  0.124  0.124  0.124  1.0
  Zn  Zn21  1  0.672  0.672  0.983  1.0
  Zn  Zn22  1  0.672  0.983  0.672  1.0
  Zn  Zn23  1  0.983  0.672  0.672  1.0
  Zn  Zn24  1  0.672  0.672  0.672  1.0
  Zn  Zn25  1  0.328  0.328  0.017  1.0
  Zn  Zn26  1  0.328  0.017  0.328  1.0
  Zn  Zn27  1  0.017  0.328  0.328  1.0
  Zn  Zn28  1  0.328  0.328  0.328  1.0
[/CIF]
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The compound described by Y6Zn23 crystallizes in the cubic Fm-3m space group. Y(1) is bonded in a 12-coordinate geometry to four equivalent Zn(2), four equivalent Zn(3), and four equivalent Zn(4) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(4) is bonded in a distorted q6 geometry to three equivalent Y(1), three equivalent Zn(2), three equivalent Zn(3), and three equivalent Zn(4) atoms. In the second Zn site, Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(3) atoms. In the third Zn site, Zn(2) is bonded to four equivalent Y(1), four equivalent Zn(3), and four equivalent Zn(4) atoms to form a mixture of face and corner-sharing ZnY4Zn8 cuboctahedra. In the fourth Zn site, Zn(3) is bonded in a 10-coordinate geometry to three equivalent Y(1), one Zn(1), three equivalent Zn(2), and three equivalent Zn(4) atoms. is represented by the CIF file [CIF]
data_Y6Zn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.891
_cell_length_b   8.891
_cell_length_c   8.891
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   496.899
_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
  Y  Y0  1  0.708  0.708  0.292  1.0
  Y  Y1  1  0.292  0.708  0.292  1.0
  Y  Y2  1  0.708  0.292  0.292  1.0
  Y  Y3  1  0.292  0.292  0.708  1.0
  Y  Y4  1  0.708  0.292  0.708  1.0
  Y  Y5  1  0.292  0.708  0.708  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Zn  Zn7  1  0.000  0.000  0.500  1.0
  Zn  Zn8  1  0.500  0.000  0.500  1.0
  Zn  Zn9  1  0.000  0.500  0.500  1.0
  Zn  Zn10  1  0.500  0.500  0.000  1.0
  Zn  Zn11  1  0.000  0.500  0.000  1.0
  Zn  Zn12  1  0.500  0.000  0.000  1.0
  Zn  Zn13  1  0.876  0.876  0.371  1.0
  Zn  Zn14  1  0.876  0.371  0.876  1.0
  Zn  Zn15  1  0.371  0.876  0.876  1.0
  Zn  Zn16  1  0.876  0.876  0.876  1.0
  Zn  Zn17  1  0.124  0.124  0.629  1.0
  Zn  Zn18  1  0.124  0.629  0.124  1.0
  Zn  Zn19  1  0.629  0.124  0.124  1.0
  Zn  Zn20  1  0.124  0.124  0.124  1.0
  Zn  Zn21  1  0.672  0.672  0.983  1.0
  Zn  Zn22  1  0.672  0.983  0.672  1.0
  Zn  Zn23  1  0.983  0.672  0.672  1.0
  Zn  Zn24  1  0.672  0.672  0.672  1.0
  Zn  Zn25  1  0.328  0.328  0.017  1.0
  Zn  Zn26  1  0.328  0.017  0.328  1.0
  Zn  Zn27  1  0.017  0.328  0.328  1.0
  Zn  Zn28  1  0.328  0.328  0.328  1.0
[/CIF]
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