The compound described by Gd6Zn23 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 12-coordinate geometry to two equivalent Zn(2), two equivalent Zn(3), four equivalent Zn(4), and four equivalent Zn(5) atoms. In the second Gd site, Gd(2) is bonded in a 12-coordinate geometry to four equivalent Zn(2), four equivalent Zn(4), and four equivalent Zn(5) atoms. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(4) atoms. In the second Zn site, Zn(2) is bonded to two equivalent Gd(1), two equivalent Gd(2), four equivalent Zn(4), and four equivalent Zn(5) atoms to form a mixture of face and corner-sharing ZnGd4Zn8 cuboctahedra. In the third Zn site, Zn(3) is bonded to four equivalent Gd(1), four equivalent Zn(4), and four equivalent Zn(5) atoms to form a mixture of face and corner-sharing ZnGd4Zn8 cuboctahedra. In the fourth Zn site, Zn(4) is bonded in a 10-coordinate geometry to one Gd(2), two equivalent Gd(1), one Zn(1), one Zn(3), two equivalent Zn(2), and three equivalent Zn(5) atoms. In the fifth Zn site, Zn(5) is bonded in a distorted q6 geometry to one Gd(2), two equivalent Gd(1), one Zn(3), two equivalent Zn(2), three equivalent Zn(4), and three equivalent Zn(5) atoms. is represented by the CIF card [CIF]
data_Gd6Zn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.932
_cell_length_b   8.932
_cell_length_c   8.945
_cell_angle_alpha   59.958
_cell_angle_beta   59.958
_cell_angle_gamma   60.093
_symmetry_Int_Tables_number   1
_cell_volume   504.680
_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
  Gd  Gd0  1  0.708  0.292  0.292  1.0
  Gd  Gd1  1  0.708  0.292  0.708  1.0
  Gd  Gd2  1  0.712  0.712  0.288  1.0
  Gd  Gd3  1  0.292  0.708  0.708  1.0
  Gd  Gd4  1  0.292  0.708  0.292  1.0
  Gd  Gd5  1  0.288  0.288  0.712  1.0
  Zn  Zn6  1  0.000  1.000  0.000  1.0
  Zn  Zn7  1  0.500  1.000  0.000  1.0
  Zn  Zn8  1  0.500  1.000  0.500  1.0
  Zn  Zn9  1  0.500  0.500  1.000  1.0
  Zn  Zn10  1  1.000  0.500  0.500  1.0
  Zn  Zn11  1  1.000  0.500  1.000  1.0
  Zn  Zn12  1  0.000  1.000  0.500  1.0
  Zn  Zn13  1  0.629  0.126  0.123  1.0
  Zn  Zn14  1  0.126  0.629  0.123  1.0
  Zn  Zn15  1  0.123  0.123  0.629  1.0
  Zn  Zn16  1  0.123  0.123  0.126  1.0
  Zn  Zn17  1  0.371  0.874  0.877  1.0
  Zn  Zn18  1  0.874  0.371  0.877  1.0
  Zn  Zn19  1  0.877  0.877  0.371  1.0
  Zn  Zn20  1  0.877  0.877  0.874  1.0
  Zn  Zn21  1  0.019  0.328  0.327  1.0
  Zn  Zn22  1  0.328  0.019  0.327  1.0
  Zn  Zn23  1  0.327  0.327  0.019  1.0
  Zn  Zn24  1  0.327  0.327  0.328  1.0
  Zn  Zn25  1  0.981  0.672  0.673  1.0
  Zn  Zn26  1  0.672  0.981  0.673  1.0
  Zn  Zn27  1  0.673  0.673  0.981  1.0
  Zn  Zn28  1  0.673  0.673  0.672  1.0
[/CIF]
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The compound described by Gd6Zn23 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 12-coordinate geometry to two equivalent Zn(2), two equivalent Zn(3), four equivalent Zn(4), and four equivalent Zn(5) atoms. In the second Gd site, Gd(2) is bonded in a 12-coordinate geometry to four equivalent Zn(2), four equivalent Zn(4), and four equivalent Zn(5) atoms. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(4) atoms. In the second Zn site, Zn(2) is bonded to two equivalent Gd(1), two equivalent Gd(2), four equivalent Zn(4), and four equivalent Zn(5) atoms to form a mixture of face and corner-sharing ZnGd4Zn8 cuboctahedra. In the third Zn site, Zn(3) is bonded to four equivalent Gd(1), four equivalent Zn(4), and four equivalent Zn(5) atoms to form a mixture of face and corner-sharing ZnGd4Zn8 cuboctahedra. In the fourth Zn site, Zn(4) is bonded in a 10-coordinate geometry to one Gd(2), two equivalent Gd(1), one Zn(1), one Zn(3), two equivalent Zn(2), and three equivalent Zn(5) atoms. In the fifth Zn site, Zn(5) is bonded in a distorted q6 geometry to one Gd(2), two equivalent Gd(1), one Zn(3), two equivalent Zn(2), three equivalent Zn(4), and three equivalent Zn(5) atoms. is represented by the CIF card [CIF]
data_Gd6Zn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.932
_cell_length_b   8.932
_cell_length_c   8.945
_cell_angle_alpha   59.958
_cell_angle_beta   59.958
_cell_angle_gamma   60.093
_symmetry_Int_Tables_number   1
_cell_volume   504.680
_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
  Gd  Gd0  1  0.708  0.292  0.292  1.0
  Gd  Gd1  1  0.708  0.292  0.708  1.0
  Gd  Gd2  1  0.712  0.712  0.288  1.0
  Gd  Gd3  1  0.292  0.708  0.708  1.0
  Gd  Gd4  1  0.292  0.708  0.292  1.0
  Gd  Gd5  1  0.288  0.288  0.712  1.0
  Zn  Zn6  1  0.000  1.000  0.000  1.0
  Zn  Zn7  1  0.500  1.000  0.000  1.0
  Zn  Zn8  1  0.500  1.000  0.500  1.0
  Zn  Zn9  1  0.500  0.500  1.000  1.0
  Zn  Zn10  1  1.000  0.500  0.500  1.0
  Zn  Zn11  1  1.000  0.500  1.000  1.0
  Zn  Zn12  1  0.000  1.000  0.500  1.0
  Zn  Zn13  1  0.629  0.126  0.123  1.0
  Zn  Zn14  1  0.126  0.629  0.123  1.0
  Zn  Zn15  1  0.123  0.123  0.629  1.0
  Zn  Zn16  1  0.123  0.123  0.126  1.0
  Zn  Zn17  1  0.371  0.874  0.877  1.0
  Zn  Zn18  1  0.874  0.371  0.877  1.0
  Zn  Zn19  1  0.877  0.877  0.371  1.0
  Zn  Zn20  1  0.877  0.877  0.874  1.0
  Zn  Zn21  1  0.019  0.328  0.327  1.0
  Zn  Zn22  1  0.328  0.019  0.327  1.0
  Zn  Zn23  1  0.327  0.327  0.019  1.0
  Zn  Zn24  1  0.327  0.327  0.328  1.0
  Zn  Zn25  1  0.981  0.672  0.673  1.0
  Zn  Zn26  1  0.672  0.981  0.673  1.0
  Zn  Zn27  1  0.673  0.673  0.981  1.0
  Zn  Zn28  1  0.673  0.673  0.672  1.0
[/CIF]
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