The compound described by Rb6HgSe4 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form distorted RbSe4 tetrahedra that share corners with two equivalent Hg(1)Se4 tetrahedra, corners with eight equivalent Rb(1)Se4 tetrahedra, and  an edgeedge with one Hg(1)Se4 tetrahedra. In the second Rb site, Rb(2) is bonded in a 3-coordinate geometry to one Se(1) and four equivalent Se(2) atoms. Hg(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form distorted HgSe4 tetrahedra that share corners with six equivalent Rb(1)Se4 tetrahedra and edges with three equivalent Rb(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to three equivalent Rb(1), three equivalent Rb(2), and one Hg(1) atom. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to three equivalent Rb(1), four equivalent Rb(2), and one Hg(1) atom. is represented by the CIF file [CIF]
data_Rb6HgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.783
_cell_length_b   10.783
_cell_length_c   8.302
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   835.905
_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
  Rb  Rb0  1  0.149  0.298  0.205  1.0
  Rb  Rb1  1  0.149  0.851  0.205  1.0
  Rb  Rb2  1  0.702  0.851  0.205  1.0
  Rb  Rb3  1  0.851  0.702  0.705  1.0
  Rb  Rb4  1  0.851  0.149  0.705  1.0
  Rb  Rb5  1  0.298  0.149  0.705  1.0
  Rb  Rb6  1  0.527  0.054  0.379  1.0
  Rb  Rb7  1  0.527  0.473  0.379  1.0
  Rb  Rb8  1  0.946  0.473  0.379  1.0
  Rb  Rb9  1  0.473  0.946  0.879  1.0
  Rb  Rb10  1  0.473  0.527  0.879  1.0
  Rb  Rb11  1  0.054  0.527  0.879  1.0
  Hg  Hg12  1  0.333  0.667  0.500  1.0
  Hg  Hg13  1  0.667  0.333  0.000  1.0
  Se  Se14  1  0.333  0.667  0.166  1.0
  Se  Se15  1  0.667  0.333  0.666  1.0
  Se  Se16  1  0.807  0.614  0.101  1.0
  Se  Se17  1  0.807  0.193  0.101  1.0
  Se  Se18  1  0.386  0.193  0.101  1.0
  Se  Se19  1  0.193  0.386  0.601  1.0
  Se  Se20  1  0.193  0.807  0.601  1.0
  Se  Se21  1  0.614  0.807  0.601  1.0
[/CIF]
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The compound described by Rb6HgSe4 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form distorted RbSe4 tetrahedra that share corners with two equivalent Hg(1)Se4 tetrahedra, corners with eight equivalent Rb(1)Se4 tetrahedra, and  an edgeedge with one Hg(1)Se4 tetrahedra. In the second Rb site, Rb(2) is bonded in a 3-coordinate geometry to one Se(1) and four equivalent Se(2) atoms. Hg(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form distorted HgSe4 tetrahedra that share corners with six equivalent Rb(1)Se4 tetrahedra and edges with three equivalent Rb(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to three equivalent Rb(1), three equivalent Rb(2), and one Hg(1) atom. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to three equivalent Rb(1), four equivalent Rb(2), and one Hg(1) atom. is represented by the CIF file [CIF]
data_Rb6HgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.783
_cell_length_b   10.783
_cell_length_c   8.302
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   835.905
_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
  Rb  Rb0  1  0.149  0.298  0.205  1.0
  Rb  Rb1  1  0.149  0.851  0.205  1.0
  Rb  Rb2  1  0.702  0.851  0.205  1.0
  Rb  Rb3  1  0.851  0.702  0.705  1.0
  Rb  Rb4  1  0.851  0.149  0.705  1.0
  Rb  Rb5  1  0.298  0.149  0.705  1.0
  Rb  Rb6  1  0.527  0.054  0.379  1.0
  Rb  Rb7  1  0.527  0.473  0.379  1.0
  Rb  Rb8  1  0.946  0.473  0.379  1.0
  Rb  Rb9  1  0.473  0.946  0.879  1.0
  Rb  Rb10  1  0.473  0.527  0.879  1.0
  Rb  Rb11  1  0.054  0.527  0.879  1.0
  Hg  Hg12  1  0.333  0.667  0.500  1.0
  Hg  Hg13  1  0.667  0.333  0.000  1.0
  Se  Se14  1  0.333  0.667  0.166  1.0
  Se  Se15  1  0.667  0.333  0.666  1.0
  Se  Se16  1  0.807  0.614  0.101  1.0
  Se  Se17  1  0.807  0.193  0.101  1.0
  Se  Se18  1  0.386  0.193  0.101  1.0
  Se  Se19  1  0.193  0.386  0.601  1.0
  Se  Se20  1  0.193  0.807  0.601  1.0
  Se  Se21  1  0.614  0.807  0.601  1.0
[/CIF]
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