The crystal structure described by Pr3Au is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing PrAu4 cuboctahedra. In the second Pr site, Pr(2) is bonded in a square co-planar geometry to four equivalent Au(1) atoms. Au(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form a mixture of corner, edge, and face-sharing AuPr12 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.236
_cell_length_b   6.236
_cell_length_c   6.236
_cell_angle_alpha   135.390
_cell_angle_beta   135.390
_cell_angle_gamma   64.925
_symmetry_Int_Tables_number   1
_cell_volume   117.902
_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  0.750  0.250  0.500  1.0
  Pr  Pr1  1  0.250  0.750  0.500  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Pr3Au is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing PrAu4 cuboctahedra. In the second Pr site, Pr(2) is bonded in a square co-planar geometry to four equivalent Au(1) atoms. Au(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form a mixture of corner, edge, and face-sharing AuPr12 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.236
_cell_length_b   6.236
_cell_length_c   6.236
_cell_angle_alpha   135.390
_cell_angle_beta   135.390
_cell_angle_gamma   64.925
_symmetry_Int_Tables_number   1
_cell_volume   117.902
_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  0.750  0.250  0.500  1.0
  Pr  Pr1  1  0.250  0.750  0.500  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
[/CIF]
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