The structure described by KHg2B crystallizes in the cubic F-43m space group. K(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1), six equivalent Hg(2), and four equivalent B(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent K(1) and four equivalent Hg(2) atoms to form distorted HgK4Hg4 tetrahedra that share corners with four equivalent B(1)K4 tetrahedra, edges with six equivalent B(1)K4 tetrahedra, and edges with twelve equivalent Hg(1)K4Hg4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 10-coordinate geometry to six equivalent K(1) and four equivalent Hg(1) atoms. B(1) is bonded to four equivalent K(1) atoms to form BK4 tetrahedra that share corners with four equivalent Hg(1)K4Hg4 tetrahedra, corners with twelve equivalent B(1)K4 tetrahedra, and edges with six equivalent Hg(1)K4Hg4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KHg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.159
_cell_length_b   5.159
_cell_length_c   5.159
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   97.086
_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
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  Hg  Hg2  1  0.250  0.250  0.250  1.0
  B  B3  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by KHg2B crystallizes in the cubic F-43m space group. K(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1), six equivalent Hg(2), and four equivalent B(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent K(1) and four equivalent Hg(2) atoms to form distorted HgK4Hg4 tetrahedra that share corners with four equivalent B(1)K4 tetrahedra, edges with six equivalent B(1)K4 tetrahedra, and edges with twelve equivalent Hg(1)K4Hg4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 10-coordinate geometry to six equivalent K(1) and four equivalent Hg(1) atoms. B(1) is bonded to four equivalent K(1) atoms to form BK4 tetrahedra that share corners with four equivalent Hg(1)K4Hg4 tetrahedra, corners with twelve equivalent B(1)K4 tetrahedra, and edges with six equivalent Hg(1)K4Hg4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KHg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.159
_cell_length_b   5.159
_cell_length_c   5.159
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   97.086
_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
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  Hg  Hg2  1  0.250  0.250  0.250  1.0
  B  B3  1  0.500  0.500  0.500  1.0
[/CIF]
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