The structure described by KHgSi2 crystallizes in the cubic F-43m space group. K(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1), four equivalent Si(1), and six equivalent Si(2) atoms. Hg(1) is bonded to four equivalent K(1) and four equivalent Si(2) atoms to form distorted HgK4Si4 tetrahedra that share corners with four equivalent Si(1)K4 tetrahedra, edges with six equivalent Si(1)K4 tetrahedra, and edges with twelve equivalent Hg(1)K4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to four equivalent K(1) atoms to form SiK4 tetrahedra that share corners with four equivalent Hg(1)K4Si4 tetrahedra, corners with twelve equivalent Si(1)K4 tetrahedra, and edges with six equivalent Hg(1)K4Si4 tetrahedra. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to six equivalent K(1) and four equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_KSi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.104
_cell_length_b   5.104
_cell_length_c   5.104
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   94.016
_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  0.750  0.750  0.750  1.0
  Si  Si1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.250  0.250  0.250  1.0
  Hg  Hg3  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by KHgSi2 crystallizes in the cubic F-43m space group. K(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1), four equivalent Si(1), and six equivalent Si(2) atoms. Hg(1) is bonded to four equivalent K(1) and four equivalent Si(2) atoms to form distorted HgK4Si4 tetrahedra that share corners with four equivalent Si(1)K4 tetrahedra, edges with six equivalent Si(1)K4 tetrahedra, and edges with twelve equivalent Hg(1)K4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to four equivalent K(1) atoms to form SiK4 tetrahedra that share corners with four equivalent Hg(1)K4Si4 tetrahedra, corners with twelve equivalent Si(1)K4 tetrahedra, and edges with six equivalent Hg(1)K4Si4 tetrahedra. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to six equivalent K(1) and four equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_KSi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.104
_cell_length_b   5.104
_cell_length_c   5.104
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   94.016
_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  0.750  0.750  0.750  1.0
  Si  Si1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.250  0.250  0.250  1.0
  Hg  Hg3  1  0.500  0.500  0.500  1.0
[/CIF]
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