The material described by Pm3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Pm(1), four equivalent Pm(2), and four equivalent Hg(1) atoms to form distorted PmPm8Hg4 cuboctahedra that share corners with twelve equivalent Pm(1)Pm8Hg4 cuboctahedra, edges with eight equivalent Pm(1)Pm8Hg4 cuboctahedra, edges with eight equivalent Hg(1)Pm12 cuboctahedra, faces with four equivalent Hg(1)Pm12 cuboctahedra, and faces with ten equivalent Pm(1)Pm8Hg4 cuboctahedra. In the second Pm site, Pm(2) is bonded in a square co-planar geometry to eight equivalent Pm(1) and four equivalent Hg(1) atoms. Hg(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form HgPm12 cuboctahedra that share corners with four equivalent Hg(1)Pm12 cuboctahedra, edges with eight equivalent Hg(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Hg4 cuboctahedra, faces with four equivalent Hg(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Hg4 cuboctahedra. is represented by the CIF card [CIF]
data_Pm3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.169
_cell_length_b   6.169
_cell_length_c   6.169
_cell_angle_alpha   134.322
_cell_angle_beta   134.322
_cell_angle_gamma   66.586
_symmetry_Int_Tables_number   1
_cell_volume   118.266
_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
  Pm  Pm0  1  0.750  0.250  0.500  1.0
  Pm  Pm1  1  0.250  0.750  0.500  1.0
  Pm  Pm2  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 material described by Pm3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Pm(1), four equivalent Pm(2), and four equivalent Hg(1) atoms to form distorted PmPm8Hg4 cuboctahedra that share corners with twelve equivalent Pm(1)Pm8Hg4 cuboctahedra, edges with eight equivalent Pm(1)Pm8Hg4 cuboctahedra, edges with eight equivalent Hg(1)Pm12 cuboctahedra, faces with four equivalent Hg(1)Pm12 cuboctahedra, and faces with ten equivalent Pm(1)Pm8Hg4 cuboctahedra. In the second Pm site, Pm(2) is bonded in a square co-planar geometry to eight equivalent Pm(1) and four equivalent Hg(1) atoms. Hg(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form HgPm12 cuboctahedra that share corners with four equivalent Hg(1)Pm12 cuboctahedra, edges with eight equivalent Hg(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Hg4 cuboctahedra, faces with four equivalent Hg(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Hg4 cuboctahedra. is represented by the CIF card [CIF]
data_Pm3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.169
_cell_length_b   6.169
_cell_length_c   6.169
_cell_angle_alpha   134.322
_cell_angle_beta   134.322
_cell_angle_gamma   66.586
_symmetry_Int_Tables_number   1
_cell_volume   118.266
_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
  Pm  Pm0  1  0.750  0.250  0.500  1.0
  Pm  Pm1  1  0.250  0.750  0.500  1.0
  Pm  Pm2  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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