The material described by YZn5 crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a 14-coordinate geometry to two equivalent Zn(2), two equivalent Zn(4), four equivalent Zn(3), and six equivalent Zn(5) atoms. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to six equivalent Zn(5) atoms. In the second Zn site, Zn(2) is bonded in a 12-coordinate geometry to three equivalent Y(1), three equivalent Zn(3), three equivalent Zn(4), and three equivalent Zn(5) atoms. In the third Zn site, Zn(3) is bonded to four equivalent Y(1), two equivalent Zn(2), two equivalent Zn(4), and four equivalent Zn(5) atoms to form ZnY4Zn8 cuboctahedra that share corners with four equivalent Zn(3)Y4Zn8 cuboctahedra, corners with ten equivalent Zn(5)Y3Zn9 cuboctahedra, edges with four equivalent Zn(5)Y3Zn9 cuboctahedra, faces with six equivalent Zn(3)Y4Zn8 cuboctahedra, and faces with eight equivalent Zn(5)Y3Zn9 cuboctahedra. In the fourth Zn site, Zn(4) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), and four equivalent Zn(5) atoms. In the fifth Zn site, Zn(5) is bonded to three equivalent Y(1), one Zn(1), one Zn(2), two equivalent Zn(3), two equivalent Zn(4), and three equivalent Zn(5) atoms to form distorted ZnY3Zn9 cuboctahedra that share corners with five equivalent Zn(3)Y4Zn8 cuboctahedra, corners with eight equivalent Zn(5)Y3Zn9 cuboctahedra, edges with two equivalent Zn(3)Y4Zn8 cuboctahedra, edges with four equivalent Zn(5)Y3Zn9 cuboctahedra, faces with four equivalent Zn(3)Y4Zn8 cuboctahedra, and faces with seven equivalent Zn(5)Y3Zn9 cuboctahedra. is represented by the CIF file [CIF]
data_YZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.798
_cell_length_b   8.798
_cell_length_c   8.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   601.111
_cell_formula_units_Z   6
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  0.188  0.812  0.250  1.0
  Y  Y1  1  0.188  0.377  0.250  1.0
  Y  Y2  1  0.623  0.812  0.250  1.0
  Y  Y3  1  0.812  0.188  0.750  1.0
  Y  Y4  1  0.812  0.623  0.750  1.0
  Y  Y5  1  0.377  0.188  0.750  1.0
  Zn  Zn6  1  0.000  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.000  0.000  1.0
  Zn  Zn8  1  0.333  0.667  0.487  1.0
  Zn  Zn9  1  0.667  0.333  0.513  1.0
  Zn  Zn10  1  0.667  0.333  0.987  1.0
  Zn  Zn11  1  0.333  0.667  0.013  1.0
  Zn  Zn12  1  0.500  0.500  0.500  1.0
  Zn  Zn13  1  0.500  0.000  0.500  1.0
  Zn  Zn14  1  0.000  0.500  0.500  1.0
  Zn  Zn15  1  0.500  0.500  0.000  1.0
  Zn  Zn16  1  0.500  0.000  0.000  1.0
  Zn  Zn17  1  0.000  0.500  0.000  1.0
  Zn  Zn18  1  0.568  0.432  0.250  1.0
  Zn  Zn19  1  0.568  0.137  0.250  1.0
  Zn  Zn20  1  0.863  0.432  0.250  1.0
  Zn  Zn21  1  0.432  0.568  0.750  1.0
  Zn  Zn22  1  0.432  0.863  0.750  1.0
  Zn  Zn23  1  0.137  0.568  0.750  1.0
  Zn  Zn24  1  0.839  0.161  0.407  1.0
  Zn  Zn25  1  0.839  0.677  0.407  1.0
  Zn  Zn26  1  0.323  0.161  0.407  1.0
  Zn  Zn27  1  0.161  0.839  0.593  1.0
  Zn  Zn28  1  0.161  0.323  0.593  1.0
  Zn  Zn29  1  0.677  0.839  0.593  1.0
  Zn  Zn30  1  0.161  0.839  0.907  1.0
  Zn  Zn31  1  0.161  0.323  0.907  1.0
  Zn  Zn32  1  0.677  0.839  0.907  1.0
  Zn  Zn33  1  0.839  0.161  0.093  1.0
  Zn  Zn34  1  0.839  0.677  0.093  1.0
  Zn  Zn35  1  0.323  0.161  0.093  1.0
[/CIF]
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The material described by YZn5 crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a 14-coordinate geometry to two equivalent Zn(2), two equivalent Zn(4), four equivalent Zn(3), and six equivalent Zn(5) atoms. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to six equivalent Zn(5) atoms. In the second Zn site, Zn(2) is bonded in a 12-coordinate geometry to three equivalent Y(1), three equivalent Zn(3), three equivalent Zn(4), and three equivalent Zn(5) atoms. In the third Zn site, Zn(3) is bonded to four equivalent Y(1), two equivalent Zn(2), two equivalent Zn(4), and four equivalent Zn(5) atoms to form ZnY4Zn8 cuboctahedra that share corners with four equivalent Zn(3)Y4Zn8 cuboctahedra, corners with ten equivalent Zn(5)Y3Zn9 cuboctahedra, edges with four equivalent Zn(5)Y3Zn9 cuboctahedra, faces with six equivalent Zn(3)Y4Zn8 cuboctahedra, and faces with eight equivalent Zn(5)Y3Zn9 cuboctahedra. In the fourth Zn site, Zn(4) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), and four equivalent Zn(5) atoms. In the fifth Zn site, Zn(5) is bonded to three equivalent Y(1), one Zn(1), one Zn(2), two equivalent Zn(3), two equivalent Zn(4), and three equivalent Zn(5) atoms to form distorted ZnY3Zn9 cuboctahedra that share corners with five equivalent Zn(3)Y4Zn8 cuboctahedra, corners with eight equivalent Zn(5)Y3Zn9 cuboctahedra, edges with two equivalent Zn(3)Y4Zn8 cuboctahedra, edges with four equivalent Zn(5)Y3Zn9 cuboctahedra, faces with four equivalent Zn(3)Y4Zn8 cuboctahedra, and faces with seven equivalent Zn(5)Y3Zn9 cuboctahedra. is represented by the CIF file [CIF]
data_YZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.798
_cell_length_b   8.798
_cell_length_c   8.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   601.111
_cell_formula_units_Z   6
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  0.188  0.812  0.250  1.0
  Y  Y1  1  0.188  0.377  0.250  1.0
  Y  Y2  1  0.623  0.812  0.250  1.0
  Y  Y3  1  0.812  0.188  0.750  1.0
  Y  Y4  1  0.812  0.623  0.750  1.0
  Y  Y5  1  0.377  0.188  0.750  1.0
  Zn  Zn6  1  0.000  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.000  0.000  1.0
  Zn  Zn8  1  0.333  0.667  0.487  1.0
  Zn  Zn9  1  0.667  0.333  0.513  1.0
  Zn  Zn10  1  0.667  0.333  0.987  1.0
  Zn  Zn11  1  0.333  0.667  0.013  1.0
  Zn  Zn12  1  0.500  0.500  0.500  1.0
  Zn  Zn13  1  0.500  0.000  0.500  1.0
  Zn  Zn14  1  0.000  0.500  0.500  1.0
  Zn  Zn15  1  0.500  0.500  0.000  1.0
  Zn  Zn16  1  0.500  0.000  0.000  1.0
  Zn  Zn17  1  0.000  0.500  0.000  1.0
  Zn  Zn18  1  0.568  0.432  0.250  1.0
  Zn  Zn19  1  0.568  0.137  0.250  1.0
  Zn  Zn20  1  0.863  0.432  0.250  1.0
  Zn  Zn21  1  0.432  0.568  0.750  1.0
  Zn  Zn22  1  0.432  0.863  0.750  1.0
  Zn  Zn23  1  0.137  0.568  0.750  1.0
  Zn  Zn24  1  0.839  0.161  0.407  1.0
  Zn  Zn25  1  0.839  0.677  0.407  1.0
  Zn  Zn26  1  0.323  0.161  0.407  1.0
  Zn  Zn27  1  0.161  0.839  0.593  1.0
  Zn  Zn28  1  0.161  0.323  0.593  1.0
  Zn  Zn29  1  0.677  0.839  0.593  1.0
  Zn  Zn30  1  0.161  0.839  0.907  1.0
  Zn  Zn31  1  0.161  0.323  0.907  1.0
  Zn  Zn32  1  0.677  0.839  0.907  1.0
  Zn  Zn33  1  0.839  0.161  0.093  1.0
  Zn  Zn34  1  0.839  0.677  0.093  1.0
  Zn  Zn35  1  0.323  0.161  0.093  1.0
[/CIF]
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