The compound described by YZn12 crystallizes in the monoclinic C2/m space group. Y(1) is bonded in a 20-coordinate geometry to two equivalent Zn(4), two equivalent Zn(5), four equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(3), and four equivalent Zn(6) atoms. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted q6 geometry to two equivalent Y(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(5), and two equivalent Zn(6) atoms. In the second Zn site, Zn(2) is bonded to two equivalent Y(1), two equivalent Zn(1), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(5), and two equivalent Zn(6) atoms to form a mixture of corner, edge, and face-sharing ZnY2Zn10 cuboctahedra. In the third Zn site, Zn(3) is bonded to two equivalent Y(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), two equivalent Zn(5), and two equivalent Zn(6) atoms to form a mixture of corner, edge, and face-sharing ZnY2Zn10 cuboctahedra. In the fourth Zn site, Zn(4) is bonded in a 10-coordinate geometry to one Y(1), one Zn(4), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Zn(6) atoms. In the fifth Zn site, Zn(5) is bonded in a 10-coordinate geometry to one Y(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Zn(6) atoms. In the sixth Zn site, Zn(6) is bonded in a distorted q6 geometry to two equivalent Y(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), and two equivalent Zn(5) atoms. is represented by the CIF card [CIF]
data_YZn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.075
_cell_length_b   6.718
_cell_length_c   6.718
_cell_angle_alpha   81.763
_cell_angle_beta   67.812
_cell_angle_gamma   67.812
_symmetry_Int_Tables_number   1
_cell_volume   196.378
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.717  0.783  0.783  1.0
  Zn  Zn2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.000  0.500  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.000  0.500  1.0
  Zn  Zn6  1  0.356  0.645  0.645  1.0
  Zn  Zn7  1  0.000  0.355  0.645  1.0
  Zn  Zn8  1  0.000  0.645  0.355  1.0
  Zn  Zn9  1  0.644  0.355  0.355  1.0
  Zn  Zn10  1  0.283  0.217  0.217  1.0
  Zn  Zn11  1  0.500  0.783  0.217  1.0
  Zn  Zn12  1  0.500  0.217  0.783  1.0
[/CIF]
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The compound described by YZn12 crystallizes in the monoclinic C2/m space group. Y(1) is bonded in a 20-coordinate geometry to two equivalent Zn(4), two equivalent Zn(5), four equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(3), and four equivalent Zn(6) atoms. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted q6 geometry to two equivalent Y(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(5), and two equivalent Zn(6) atoms. In the second Zn site, Zn(2) is bonded to two equivalent Y(1), two equivalent Zn(1), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(5), and two equivalent Zn(6) atoms to form a mixture of corner, edge, and face-sharing ZnY2Zn10 cuboctahedra. In the third Zn site, Zn(3) is bonded to two equivalent Y(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), two equivalent Zn(5), and two equivalent Zn(6) atoms to form a mixture of corner, edge, and face-sharing ZnY2Zn10 cuboctahedra. In the fourth Zn site, Zn(4) is bonded in a 10-coordinate geometry to one Y(1), one Zn(4), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Zn(6) atoms. In the fifth Zn site, Zn(5) is bonded in a 10-coordinate geometry to one Y(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Zn(6) atoms. In the sixth Zn site, Zn(6) is bonded in a distorted q6 geometry to two equivalent Y(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), and two equivalent Zn(5) atoms. is represented by the CIF card [CIF]
data_YZn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.075
_cell_length_b   6.718
_cell_length_c   6.718
_cell_angle_alpha   81.763
_cell_angle_beta   67.812
_cell_angle_gamma   67.812
_symmetry_Int_Tables_number   1
_cell_volume   196.378
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.717  0.783  0.783  1.0
  Zn  Zn2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.000  0.500  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.000  0.500  1.0
  Zn  Zn6  1  0.356  0.645  0.645  1.0
  Zn  Zn7  1  0.000  0.355  0.645  1.0
  Zn  Zn8  1  0.000  0.645  0.355  1.0
  Zn  Zn9  1  0.644  0.355  0.355  1.0
  Zn  Zn10  1  0.283  0.217  0.217  1.0
  Zn  Zn11  1  0.500  0.783  0.217  1.0
  Zn  Zn12  1  0.500  0.217  0.783  1.0
[/CIF]
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