The material described by HgF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Hg(1) is bonded in a 7-coordinate geometry to three equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent Hg(1) atoms. In the second F site, F(1) is bonded to four equivalent Hg(1) atoms to form a mixture of corner and edge-sharing FHg4 tetrahedra. is represented by the CIF card [CIF]
data_HgF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.662
_cell_length_b   5.986
_cell_length_c   7.151
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.760
_cell_formula_units_Z   4
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
  Hg  Hg0  1  0.750  0.744  0.611  1.0
  Hg  Hg1  1  0.750  0.244  0.889  1.0
  Hg  Hg2  1  0.250  0.256  0.389  1.0
  Hg  Hg3  1  0.250  0.756  0.111  1.0
  F  F4  1  0.750  0.142  0.577  1.0
  F  F5  1  0.750  0.642  0.923  1.0
  F  F6  1  0.250  0.858  0.423  1.0
  F  F7  1  0.250  0.358  0.077  1.0
  F  F8  1  0.750  0.518  0.334  1.0
  F  F9  1  0.750  0.018  0.166  1.0
  F  F10  1  0.250  0.482  0.666  1.0
  F  F11  1  0.250  0.982  0.834  1.0
[/CIF]
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The material described by HgF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Hg(1) is bonded in a 7-coordinate geometry to three equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent Hg(1) atoms. In the second F site, F(1) is bonded to four equivalent Hg(1) atoms to form a mixture of corner and edge-sharing FHg4 tetrahedra. is represented by the CIF card [CIF]
data_HgF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.662
_cell_length_b   5.986
_cell_length_c   7.151
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.760
_cell_formula_units_Z   4
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
  Hg  Hg0  1  0.750  0.744  0.611  1.0
  Hg  Hg1  1  0.750  0.244  0.889  1.0
  Hg  Hg2  1  0.250  0.256  0.389  1.0
  Hg  Hg3  1  0.250  0.756  0.111  1.0
  F  F4  1  0.750  0.142  0.577  1.0
  F  F5  1  0.750  0.642  0.923  1.0
  F  F6  1  0.250  0.858  0.423  1.0
  F  F7  1  0.250  0.358  0.077  1.0
  F  F8  1  0.750  0.518  0.334  1.0
  F  F9  1  0.750  0.018  0.166  1.0
  F  F10  1  0.250  0.482  0.666  1.0
  F  F11  1  0.250  0.982  0.834  1.0
[/CIF]
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