The compound described by K2HgSnSe4 is Hazelwoodite-derived structured and crystallizes in the tetragonal I-42m space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Hg(1) is bonded to four equivalent Se(1) atoms to form distorted HgSe4 tetrahedra that share edges with two equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share edges with two equivalent Hg(1)Se4 tetrahedra. Se(1) is bonded in a 6-coordinate geometry to four equivalent K(1), one Hg(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2SnHgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.831
_cell_length_b   6.831
_cell_length_c   6.831
_cell_angle_alpha   105.841
_cell_angle_beta   105.841
_cell_angle_gamma   117.004
_symmetry_Int_Tables_number   1
_cell_volume   242.208
_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  0.500  0.000  0.500  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.902  0.559  0.000  1.0
  Se  Se5  1  0.559  0.902  0.000  1.0
  Se  Se6  1  0.098  0.098  0.658  1.0
  Se  Se7  1  0.441  0.441  0.342  1.0
[/CIF]
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The compound described by K2HgSnSe4 is Hazelwoodite-derived structured and crystallizes in the tetragonal I-42m space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Hg(1) is bonded to four equivalent Se(1) atoms to form distorted HgSe4 tetrahedra that share edges with two equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share edges with two equivalent Hg(1)Se4 tetrahedra. Se(1) is bonded in a 6-coordinate geometry to four equivalent K(1), one Hg(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2SnHgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.831
_cell_length_b   6.831
_cell_length_c   6.831
_cell_angle_alpha   105.841
_cell_angle_beta   105.841
_cell_angle_gamma   117.004
_symmetry_Int_Tables_number   1
_cell_volume   242.208
_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  0.500  0.000  0.500  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.902  0.559  0.000  1.0
  Se  Se5  1  0.559  0.902  0.000  1.0
  Se  Se6  1  0.098  0.098  0.658  1.0
  Se  Se7  1  0.441  0.441  0.342  1.0
[/CIF]
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