The structure described by Pr3Hg 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 Pr(1), four equivalent Pr(2), and four equivalent Hg(1) atoms to form distorted PrPr8Hg4 cuboctahedra that share corners with twelve equivalent Pr(1)Pr8Hg4 cuboctahedra, edges with eight equivalent Pr(1)Pr8Hg4 cuboctahedra, edges with eight equivalent Hg(1)Pr12 cuboctahedra, faces with four equivalent Hg(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Pr8Hg4 cuboctahedra. In the second Pr site, Pr(2) is bonded in a square co-planar geometry to eight equivalent Pr(1) and four equivalent Hg(1) atoms. Hg(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form HgPr12 cuboctahedra that share corners with four equivalent Hg(1)Pr12 cuboctahedra, edges with eight equivalent Hg(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Hg4 cuboctahedra, faces with four equivalent Hg(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Hg4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.272
_cell_length_b   6.272
_cell_length_c   6.272
_cell_angle_alpha   134.381
_cell_angle_beta   134.381
_cell_angle_gamma   66.493
_symmetry_Int_Tables_number   1
_cell_volume   124.070
_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
  Hg  Hg3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Pr3Hg 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 Pr(1), four equivalent Pr(2), and four equivalent Hg(1) atoms to form distorted PrPr8Hg4 cuboctahedra that share corners with twelve equivalent Pr(1)Pr8Hg4 cuboctahedra, edges with eight equivalent Pr(1)Pr8Hg4 cuboctahedra, edges with eight equivalent Hg(1)Pr12 cuboctahedra, faces with four equivalent Hg(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Pr8Hg4 cuboctahedra. In the second Pr site, Pr(2) is bonded in a square co-planar geometry to eight equivalent Pr(1) and four equivalent Hg(1) atoms. Hg(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form HgPr12 cuboctahedra that share corners with four equivalent Hg(1)Pr12 cuboctahedra, edges with eight equivalent Hg(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Hg4 cuboctahedra, faces with four equivalent Hg(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Hg4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.272
_cell_length_b   6.272
_cell_length_c   6.272
_cell_angle_alpha   134.381
_cell_angle_beta   134.381
_cell_angle_gamma   66.493
_symmetry_Int_Tables_number   1
_cell_volume   124.070
_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
  Hg  Hg3  1  0.000  0.000  0.000  1.0
[/CIF]
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