The compound described by PmHg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Pm(1) is bonded in a distorted body-centered cubic geometry to six equivalent Hg(2) and eight equivalent Hg(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Pm(1) and four equivalent Hg(2) atoms to form a mixture of distorted corner, edge, and face-sharing HgPm4Hg4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 14-coordinate geometry to six equivalent Pm(1) and eight equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_PmHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.144
_cell_length_b   5.144
_cell_length_c   5.144
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   96.252
_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  0.750  0.750  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  Hg  Hg2  1  0.500  0.500  0.500  1.0
  Hg  Hg3  1  0.250  0.250  0.250  1.0
[/CIF]
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The compound described by PmHg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Pm(1) is bonded in a distorted body-centered cubic geometry to six equivalent Hg(2) and eight equivalent Hg(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Pm(1) and four equivalent Hg(2) atoms to form a mixture of distorted corner, edge, and face-sharing HgPm4Hg4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 14-coordinate geometry to six equivalent Pm(1) and eight equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_PmHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.144
_cell_length_b   5.144
_cell_length_c   5.144
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   96.252
_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  0.750  0.750  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  Hg  Hg2  1  0.500  0.500  0.500  1.0
  Hg  Hg3  1  0.250  0.250  0.250  1.0
[/CIF]
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