The compound described by DyZn12 crystallizes in the tetragonal I4/mmm space group. Dy(1) is bonded in a 20-coordinate geometry to four equivalent Zn(2), eight equivalent Zn(1), and eight equivalent Zn(3) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Dy(1), two equivalent Zn(1), four equivalent Zn(2), and four equivalent Zn(3) atoms to form a mixture of edge, face, and corner-sharing ZnDy2Zn10 cuboctahedra. In the second Zn site, Zn(3) is bonded in a distorted q6 geometry to two equivalent Dy(1), two equivalent Zn(3), four equivalent Zn(1), and four equivalent Zn(2) atoms. In the third Zn site, Zn(2) is bonded in a 10-coordinate geometry to one Dy(1), one Zn(2), four equivalent Zn(1), and four equivalent Zn(3) atoms. is represented by the CIF file [CIF]
data_DyZn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.703
_cell_length_b   6.703
_cell_length_c   6.703
_cell_angle_alpha   98.325
_cell_angle_beta   98.325
_cell_angle_gamma   135.270
_symmetry_Int_Tables_number   1
_cell_volume   196.048
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.500  0.000  0.000  1.0
  Zn  Zn4  1  0.000  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.354  0.354  1.0
  Zn  Zn6  1  0.000  0.646  0.646  1.0
  Zn  Zn7  1  0.646  0.000  0.646  1.0
  Zn  Zn8  1  0.354  0.000  0.354  1.0
  Zn  Zn9  1  0.500  0.283  0.783  1.0
  Zn  Zn10  1  0.500  0.717  0.217  1.0
  Zn  Zn11  1  0.717  0.500  0.217  1.0
  Zn  Zn12  1  0.283  0.500  0.783  1.0
[/CIF]
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The compound described by DyZn12 crystallizes in the tetragonal I4/mmm space group. Dy(1) is bonded in a 20-coordinate geometry to four equivalent Zn(2), eight equivalent Zn(1), and eight equivalent Zn(3) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Dy(1), two equivalent Zn(1), four equivalent Zn(2), and four equivalent Zn(3) atoms to form a mixture of edge, face, and corner-sharing ZnDy2Zn10 cuboctahedra. In the second Zn site, Zn(3) is bonded in a distorted q6 geometry to two equivalent Dy(1), two equivalent Zn(3), four equivalent Zn(1), and four equivalent Zn(2) atoms. In the third Zn site, Zn(2) is bonded in a 10-coordinate geometry to one Dy(1), one Zn(2), four equivalent Zn(1), and four equivalent Zn(3) atoms. is represented by the CIF file [CIF]
data_DyZn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.703
_cell_length_b   6.703
_cell_length_c   6.703
_cell_angle_alpha   98.325
_cell_angle_beta   98.325
_cell_angle_gamma   135.270
_symmetry_Int_Tables_number   1
_cell_volume   196.048
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.500  0.000  0.000  1.0
  Zn  Zn4  1  0.000  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.354  0.354  1.0
  Zn  Zn6  1  0.000  0.646  0.646  1.0
  Zn  Zn7  1  0.646  0.000  0.646  1.0
  Zn  Zn8  1  0.354  0.000  0.354  1.0
  Zn  Zn9  1  0.500  0.283  0.783  1.0
  Zn  Zn10  1  0.500  0.717  0.217  1.0
  Zn  Zn11  1  0.717  0.500  0.217  1.0
  Zn  Zn12  1  0.283  0.500  0.783  1.0
[/CIF]
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