The material described by Zn2Y is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Y(1), three equivalent Zn(1), and nine equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Y(1) and six equivalent Zn(2) atoms to form a mixture of corner, edge, and face-sharing ZnY6Zn6 cuboctahedra. In the second Zn site, Zn(2) is bonded to six equivalent Y(1), two equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of corner, edge, and face-sharing ZnY6Zn6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.509
_cell_length_b   5.509
_cell_length_c   8.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   226.036
_cell_formula_units_Z   4
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  0.333  0.667  0.443  1.0
  Y  Y1  1  0.667  0.333  0.557  1.0
  Y  Y2  1  0.667  0.333  0.943  1.0
  Y  Y3  1  0.333  0.667  0.057  1.0
  Zn  Zn4  1  0.000  0.000  0.500  1.0
  Zn  Zn5  1  0.000  0.000  0.000  1.0
  Zn  Zn6  1  0.833  0.167  0.250  1.0
  Zn  Zn7  1  0.833  0.665  0.250  1.0
  Zn  Zn8  1  0.335  0.167  0.250  1.0
  Zn  Zn9  1  0.167  0.833  0.750  1.0
  Zn  Zn10  1  0.167  0.335  0.750  1.0
  Zn  Zn11  1  0.665  0.833  0.750  1.0
[/CIF]
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The material described by Zn2Y is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Y(1), three equivalent Zn(1), and nine equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Y(1) and six equivalent Zn(2) atoms to form a mixture of corner, edge, and face-sharing ZnY6Zn6 cuboctahedra. In the second Zn site, Zn(2) is bonded to six equivalent Y(1), two equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of corner, edge, and face-sharing ZnY6Zn6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.509
_cell_length_b   5.509
_cell_length_c   8.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   226.036
_cell_formula_units_Z   4
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  0.333  0.667  0.443  1.0
  Y  Y1  1  0.667  0.333  0.557  1.0
  Y  Y2  1  0.667  0.333  0.943  1.0
  Y  Y3  1  0.333  0.667  0.057  1.0
  Zn  Zn4  1  0.000  0.000  0.500  1.0
  Zn  Zn5  1  0.000  0.000  0.000  1.0
  Zn  Zn6  1  0.833  0.167  0.250  1.0
  Zn  Zn7  1  0.833  0.665  0.250  1.0
  Zn  Zn8  1  0.335  0.167  0.250  1.0
  Zn  Zn9  1  0.167  0.833  0.750  1.0
  Zn  Zn10  1  0.167  0.335  0.750  1.0
  Zn  Zn11  1  0.665  0.833  0.750  1.0
[/CIF]
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