The compound described by K2Hg3Ge2Se8 crystallizes in the orthorhombic Aea2 space group. K(1) is bonded in a 7-coordinate geometry to one Se(2), two equivalent Se(1), two equivalent Se(3), and two equivalent Se(4) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted see-saw-like geometry to one Se(3), one Se(4), and two equivalent Se(2) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent Se(1) atoms. Ge(1) is bonded in a tetrahedral geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. There are four inequivalent Se sites. In the first Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Hg(1), and one Ge(1) atom. In the second Se site, Se(4) is bonded to two equivalent K(1), one Hg(1), and one Ge(1) atom to form distorted corner-sharing SeK2HgGe trigonal pyramids. In the third Se site, Se(1) is bonded to two equivalent K(1), one Hg(2), and one Ge(1) atom to form distorted corner-sharing SeK2HgGe trigonal pyramids. In the fourth Se site, Se(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent Hg(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_K2Hg3(GeSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.843
_cell_length_b   6.843
_cell_length_c   20.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.004
_symmetry_Int_Tables_number   1
_cell_volume   951.286
_cell_formula_units_Z   2
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  0.882  0.472  0.382  1.0
  K  K1  1  0.472  0.882  0.618  1.0
  K  K2  1  0.382  0.972  0.118  1.0
  K  K3  1  0.972  0.382  0.882  1.0
  Hg  Hg4  1  0.833  0.925  0.245  1.0
  Hg  Hg5  1  0.925  0.833  0.755  1.0
  Hg  Hg6  1  0.333  0.425  0.255  1.0
  Hg  Hg7  1  0.425  0.333  0.745  1.0
  Hg  Hg8  1  0.540  0.540  0.000  1.0
  Hg  Hg9  1  0.040  0.040  0.500  1.0
  Ge  Ge10  1  0.896  0.474  0.136  1.0
  Ge  Ge11  1  0.474  0.896  0.864  1.0
  Ge  Ge12  1  0.974  0.396  0.636  1.0
  Ge  Ge13  1  0.396  0.974  0.364  1.0
  Se  Se14  1  0.304  0.772  0.963  1.0
  Se  Se15  1  0.772  0.304  0.037  1.0
  Se  Se16  1  0.830  0.244  0.730  1.0
  Se  Se17  1  0.244  0.830  0.270  1.0
  Se  Se18  1  0.330  0.744  0.770  1.0
  Se  Se19  1  0.744  0.330  0.230  1.0
  Se  Se20  1  0.428  0.239  0.868  1.0
  Se  Se21  1  0.239  0.428  0.132  1.0
  Se  Se22  1  0.928  0.739  0.632  1.0
  Se  Se23  1  0.739  0.928  0.368  1.0
  Se  Se24  1  0.315  0.350  0.623  1.0
  Se  Se25  1  0.350  0.315  0.377  1.0
  Se  Se26  1  0.815  0.850  0.877  1.0
  Se  Se27  1  0.850  0.815  0.123  1.0
  Se  Se28  1  0.804  0.272  0.537  1.0
  Se  Se29  1  0.272  0.804  0.463  1.0
[/CIF]
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The compound described by K2Hg3Ge2Se8 crystallizes in the orthorhombic Aea2 space group. K(1) is bonded in a 7-coordinate geometry to one Se(2), two equivalent Se(1), two equivalent Se(3), and two equivalent Se(4) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted see-saw-like geometry to one Se(3), one Se(4), and two equivalent Se(2) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent Se(1) atoms. Ge(1) is bonded in a tetrahedral geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. There are four inequivalent Se sites. In the first Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Hg(1), and one Ge(1) atom. In the second Se site, Se(4) is bonded to two equivalent K(1), one Hg(1), and one Ge(1) atom to form distorted corner-sharing SeK2HgGe trigonal pyramids. In the third Se site, Se(1) is bonded to two equivalent K(1), one Hg(2), and one Ge(1) atom to form distorted corner-sharing SeK2HgGe trigonal pyramids. In the fourth Se site, Se(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent Hg(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_K2Hg3(GeSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.843
_cell_length_b   6.843
_cell_length_c   20.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.004
_symmetry_Int_Tables_number   1
_cell_volume   951.286
_cell_formula_units_Z   2
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  0.882  0.472  0.382  1.0
  K  K1  1  0.472  0.882  0.618  1.0
  K  K2  1  0.382  0.972  0.118  1.0
  K  K3  1  0.972  0.382  0.882  1.0
  Hg  Hg4  1  0.833  0.925  0.245  1.0
  Hg  Hg5  1  0.925  0.833  0.755  1.0
  Hg  Hg6  1  0.333  0.425  0.255  1.0
  Hg  Hg7  1  0.425  0.333  0.745  1.0
  Hg  Hg8  1  0.540  0.540  0.000  1.0
  Hg  Hg9  1  0.040  0.040  0.500  1.0
  Ge  Ge10  1  0.896  0.474  0.136  1.0
  Ge  Ge11  1  0.474  0.896  0.864  1.0
  Ge  Ge12  1  0.974  0.396  0.636  1.0
  Ge  Ge13  1  0.396  0.974  0.364  1.0
  Se  Se14  1  0.304  0.772  0.963  1.0
  Se  Se15  1  0.772  0.304  0.037  1.0
  Se  Se16  1  0.830  0.244  0.730  1.0
  Se  Se17  1  0.244  0.830  0.270  1.0
  Se  Se18  1  0.330  0.744  0.770  1.0
  Se  Se19  1  0.744  0.330  0.230  1.0
  Se  Se20  1  0.428  0.239  0.868  1.0
  Se  Se21  1  0.239  0.428  0.132  1.0
  Se  Se22  1  0.928  0.739  0.632  1.0
  Se  Se23  1  0.739  0.928  0.368  1.0
  Se  Se24  1  0.315  0.350  0.623  1.0
  Se  Se25  1  0.350  0.315  0.377  1.0
  Se  Se26  1  0.815  0.850  0.877  1.0
  Se  Se27  1  0.850  0.815  0.123  1.0
  Se  Se28  1  0.804  0.272  0.537  1.0
  Se  Se29  1  0.272  0.804  0.463  1.0
[/CIF]
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