The structure described by KHg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Hg(2) and eight equivalent Hg(1) atoms to form a mixture of face, corner, and edge-sharing KHg12 cuboctahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent K(1) atoms to form a mixture of distorted corner and edge-sharing HgK4 tetrahedra. In the second Hg site, Hg(2) is bonded in a square co-planar geometry to four equivalent K(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.822
_cell_length_b   5.822
_cell_length_c   5.822
_cell_angle_alpha   128.052
_cell_angle_beta   128.052
_cell_angle_gamma   76.542
_symmetry_Int_Tables_number   1
_cell_volume   118.861
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Hg  Hg1  1  0.750  0.250  0.500  1.0
  Hg  Hg2  1  0.250  0.750  0.500  1.0
  Hg  Hg3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by KHg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Hg(2) and eight equivalent Hg(1) atoms to form a mixture of face, corner, and edge-sharing KHg12 cuboctahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent K(1) atoms to form a mixture of distorted corner and edge-sharing HgK4 tetrahedra. In the second Hg site, Hg(2) is bonded in a square co-planar geometry to four equivalent K(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.822
_cell_length_b   5.822
_cell_length_c   5.822
_cell_angle_alpha   128.052
_cell_angle_beta   128.052
_cell_angle_gamma   76.542
_symmetry_Int_Tables_number   1
_cell_volume   118.861
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Hg  Hg1  1  0.750  0.250  0.500  1.0
  Hg  Hg2  1  0.250  0.750  0.500  1.0
  Hg  Hg3  1  0.500  0.500  0.000  1.0
[/CIF]
.