The compound described by Pr3Zn11 crystallizes in the orthorhombic Immm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 16-coordinate geometry to four equivalent Zn(2), four equivalent Zn(4), and eight equivalent Zn(3) atoms. In the second Pr site, Pr(2) is bonded in a 16-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), six equivalent Zn(3), and six equivalent Zn(4) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Pr(2), four equivalent Zn(2), and four equivalent Zn(4) atoms to form distorted face-sharing ZnPr4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Zn(1), two equivalent Zn(3), and four equivalent Zn(4) atoms to form a mixture of distorted corner, edge, and face-sharing ZnPr4Zn8 cuboctahedra. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to two equivalent Pr(1), three equivalent Pr(2), one Zn(2), one Zn(3), and three equivalent Zn(4) atoms. In the fourth Zn site, Zn(4) is bonded in a 10-coordinate geometry to one Pr(1), three equivalent Pr(2), one Zn(1), two equivalent Zn(2), and three equivalent Zn(3) atoms. is represented by the CIF file [CIF]
data_Pr3Zn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.516
_cell_length_b   8.370
_cell_length_c   8.370
_cell_angle_alpha   65.122
_cell_angle_beta   74.350
_cell_angle_gamma   74.350
_symmetry_Int_Tables_number   1
_cell_volume   271.864
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.301  0.699  0.699  1.0
  Pr  Pr2  1  0.699  0.301  0.301  1.0
  Zn  Zn3  1  0.000  0.500  0.500  1.0
  Zn  Zn4  1  0.500  0.302  0.698  1.0
  Zn  Zn5  1  0.500  0.698  0.302  1.0
  Zn  Zn6  1  0.338  0.302  0.021  1.0
  Zn  Zn7  1  0.662  0.698  0.979  1.0
  Zn  Zn8  1  0.338  0.021  0.302  1.0
  Zn  Zn9  1  0.662  0.979  0.698  1.0
  Zn  Zn10  1  0.137  0.582  0.144  1.0
  Zn  Zn11  1  0.863  0.418  0.856  1.0
  Zn  Zn12  1  0.137  0.144  0.582  1.0
  Zn  Zn13  1  0.863  0.856  0.418  1.0
[/CIF]
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The compound described by Pr3Zn11 crystallizes in the orthorhombic Immm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 16-coordinate geometry to four equivalent Zn(2), four equivalent Zn(4), and eight equivalent Zn(3) atoms. In the second Pr site, Pr(2) is bonded in a 16-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), six equivalent Zn(3), and six equivalent Zn(4) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Pr(2), four equivalent Zn(2), and four equivalent Zn(4) atoms to form distorted face-sharing ZnPr4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Zn(1), two equivalent Zn(3), and four equivalent Zn(4) atoms to form a mixture of distorted corner, edge, and face-sharing ZnPr4Zn8 cuboctahedra. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to two equivalent Pr(1), three equivalent Pr(2), one Zn(2), one Zn(3), and three equivalent Zn(4) atoms. In the fourth Zn site, Zn(4) is bonded in a 10-coordinate geometry to one Pr(1), three equivalent Pr(2), one Zn(1), two equivalent Zn(2), and three equivalent Zn(3) atoms. is represented by the CIF file [CIF]
data_Pr3Zn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.516
_cell_length_b   8.370
_cell_length_c   8.370
_cell_angle_alpha   65.122
_cell_angle_beta   74.350
_cell_angle_gamma   74.350
_symmetry_Int_Tables_number   1
_cell_volume   271.864
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.301  0.699  0.699  1.0
  Pr  Pr2  1  0.699  0.301  0.301  1.0
  Zn  Zn3  1  0.000  0.500  0.500  1.0
  Zn  Zn4  1  0.500  0.302  0.698  1.0
  Zn  Zn5  1  0.500  0.698  0.302  1.0
  Zn  Zn6  1  0.338  0.302  0.021  1.0
  Zn  Zn7  1  0.662  0.698  0.979  1.0
  Zn  Zn8  1  0.338  0.021  0.302  1.0
  Zn  Zn9  1  0.662  0.979  0.698  1.0
  Zn  Zn10  1  0.137  0.582  0.144  1.0
  Zn  Zn11  1  0.863  0.418  0.856  1.0
  Zn  Zn12  1  0.137  0.144  0.582  1.0
  Zn  Zn13  1  0.863  0.856  0.418  1.0
[/CIF]
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