The crystal structure described by DyZn5 crystallizes in the hexagonal P6/mmm space group. Dy(1) is bonded in a 18-coordinate geometry to six equivalent Zn(2) and twelve equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Dy(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form ZnDy4Zn8 cuboctahedra that share corners with eight equivalent Zn(2)Dy3Zn6 cuboctahedra, corners with sixteen equivalent Zn(1)Dy4Zn8 cuboctahedra, edges with eight equivalent Zn(2)Dy3Zn6 cuboctahedra, edges with ten equivalent Zn(1)Dy4Zn8 cuboctahedra, faces with four equivalent Zn(2)Dy3Zn6 cuboctahedra, and faces with ten equivalent Zn(1)Dy4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded to three equivalent Dy(1) and six equivalent Zn(1) atoms to form distorted ZnDy3Zn6 cuboctahedra that share corners with twelve equivalent Zn(1)Dy4Zn8 cuboctahedra, corners with fifteen equivalent Zn(2)Dy3Zn6 cuboctahedra, edges with twelve equivalent Zn(1)Dy4Zn8 cuboctahedra, faces with five equivalent Zn(2)Dy3Zn6 cuboctahedra, and faces with six equivalent Zn(1)Dy4Zn8 cuboctahedra. is represented by the CIF file [CIF]
data_DyZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   5.229
_cell_length_c   4.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   98.875
_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  0.500  0.500  1.0
  Zn  Zn2  1  0.333  0.667  0.000  1.0
  Zn  Zn3  1  0.667  0.333  0.000  1.0
  Zn  Zn4  1  0.500  0.000  0.500  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by DyZn5 crystallizes in the hexagonal P6/mmm space group. Dy(1) is bonded in a 18-coordinate geometry to six equivalent Zn(2) and twelve equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Dy(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form ZnDy4Zn8 cuboctahedra that share corners with eight equivalent Zn(2)Dy3Zn6 cuboctahedra, corners with sixteen equivalent Zn(1)Dy4Zn8 cuboctahedra, edges with eight equivalent Zn(2)Dy3Zn6 cuboctahedra, edges with ten equivalent Zn(1)Dy4Zn8 cuboctahedra, faces with four equivalent Zn(2)Dy3Zn6 cuboctahedra, and faces with ten equivalent Zn(1)Dy4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded to three equivalent Dy(1) and six equivalent Zn(1) atoms to form distorted ZnDy3Zn6 cuboctahedra that share corners with twelve equivalent Zn(1)Dy4Zn8 cuboctahedra, corners with fifteen equivalent Zn(2)Dy3Zn6 cuboctahedra, edges with twelve equivalent Zn(1)Dy4Zn8 cuboctahedra, faces with five equivalent Zn(2)Dy3Zn6 cuboctahedra, and faces with six equivalent Zn(1)Dy4Zn8 cuboctahedra. is represented by the CIF file [CIF]
data_DyZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   5.229
_cell_length_c   4.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   98.875
_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  0.500  0.500  1.0
  Zn  Zn2  1  0.333  0.667  0.000  1.0
  Zn  Zn3  1  0.667  0.333  0.000  1.0
  Zn  Zn4  1  0.500  0.000  0.500  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
[/CIF]
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