The structure described by PrZn11 crystallizes in the tetragonal I4_1/amd space group. Pr(1) is bonded in a 18-coordinate geometry to two equivalent Zn(3) and sixteen equivalent Zn(1) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(3) is bonded in a 14-coordinate geometry to two equivalent Pr(1), four equivalent Zn(2), and eight equivalent Zn(1) atoms. In the second Zn site, Zn(1) is bonded to two equivalent Pr(1), one Zn(3), two equivalent Zn(2), and seven equivalent Zn(1) atoms to form a mixture of distorted edge, face, and corner-sharing ZnPr2Zn10 cuboctahedra. In the third Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Zn(3) and eight equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrZn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.762
_cell_length_b   8.168
_cell_length_c   8.168
_cell_angle_alpha   80.134
_cell_angle_beta   65.547
_cell_angle_gamma   65.547
_symmetry_Int_Tables_number   1
_cell_volume   373.838
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.375  0.250  0.750  1.0
  Pr  Pr1  1  0.625  0.750  0.250  1.0
  Zn  Zn2  1  0.723  0.833  0.578  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.199  0.078  0.167  1.0
  Zn  Zn5  1  0.134  0.422  0.167  1.0
  Zn  Zn6  1  0.199  0.667  0.578  1.0
  Zn  Zn7  1  0.866  0.578  0.833  1.0
  Zn  Zn8  1  0.134  0.667  0.922  1.0
  Zn  Zn9  1  0.125  0.750  0.250  1.0
  Zn  Zn10  1  0.866  0.333  0.078  1.0
  Zn  Zn11  1  0.875  0.250  0.750  1.0
  Zn  Zn12  1  0.556  0.578  0.667  1.0
  Zn  Zn13  1  0.500  0.500  0.000  1.0
  Zn  Zn14  1  0.277  0.167  0.422  1.0
  Zn  Zn15  1  0.801  0.333  0.422  1.0
  Zn  Zn16  1  0.723  0.078  0.333  1.0
  Zn  Zn17  1  0.444  0.422  0.333  1.0
  Zn  Zn18  1  0.556  0.167  0.078  1.0
  Zn  Zn19  1  0.277  0.922  0.667  1.0
  Zn  Zn20  1  0.801  0.922  0.833  1.0
  Zn  Zn21  1  0.444  0.833  0.922  1.0
  Zn  Zn22  1  0.000  0.000  0.500  1.0
  Zn  Zn23  1  0.000  0.500  0.500  1.0
[/CIF]
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The structure described by PrZn11 crystallizes in the tetragonal I4_1/amd space group. Pr(1) is bonded in a 18-coordinate geometry to two equivalent Zn(3) and sixteen equivalent Zn(1) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(3) is bonded in a 14-coordinate geometry to two equivalent Pr(1), four equivalent Zn(2), and eight equivalent Zn(1) atoms. In the second Zn site, Zn(1) is bonded to two equivalent Pr(1), one Zn(3), two equivalent Zn(2), and seven equivalent Zn(1) atoms to form a mixture of distorted edge, face, and corner-sharing ZnPr2Zn10 cuboctahedra. In the third Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Zn(3) and eight equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrZn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.762
_cell_length_b   8.168
_cell_length_c   8.168
_cell_angle_alpha   80.134
_cell_angle_beta   65.547
_cell_angle_gamma   65.547
_symmetry_Int_Tables_number   1
_cell_volume   373.838
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.375  0.250  0.750  1.0
  Pr  Pr1  1  0.625  0.750  0.250  1.0
  Zn  Zn2  1  0.723  0.833  0.578  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.199  0.078  0.167  1.0
  Zn  Zn5  1  0.134  0.422  0.167  1.0
  Zn  Zn6  1  0.199  0.667  0.578  1.0
  Zn  Zn7  1  0.866  0.578  0.833  1.0
  Zn  Zn8  1  0.134  0.667  0.922  1.0
  Zn  Zn9  1  0.125  0.750  0.250  1.0
  Zn  Zn10  1  0.866  0.333  0.078  1.0
  Zn  Zn11  1  0.875  0.250  0.750  1.0
  Zn  Zn12  1  0.556  0.578  0.667  1.0
  Zn  Zn13  1  0.500  0.500  0.000  1.0
  Zn  Zn14  1  0.277  0.167  0.422  1.0
  Zn  Zn15  1  0.801  0.333  0.422  1.0
  Zn  Zn16  1  0.723  0.078  0.333  1.0
  Zn  Zn17  1  0.444  0.422  0.333  1.0
  Zn  Zn18  1  0.556  0.167  0.078  1.0
  Zn  Zn19  1  0.277  0.922  0.667  1.0
  Zn  Zn20  1  0.801  0.922  0.833  1.0
  Zn  Zn21  1  0.444  0.833  0.922  1.0
  Zn  Zn22  1  0.000  0.000  0.500  1.0
  Zn  Zn23  1  0.000  0.500  0.500  1.0
[/CIF]
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