The material structure described by Rb2Hg3Se4 crystallizes in the orthorhombic Ibam space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent Hg(2) and eight equivalent Se(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to two equivalent Rb(1) and two equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1), one Hg(1), and one Hg(2) atom. is represented by the CIF card [CIF]
data_Rb2Hg3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.537
_cell_length_b   9.979
_cell_length_c   9.979
_cell_angle_alpha   72.781
_cell_angle_beta   70.879
_cell_angle_gamma   70.879
_symmetry_Int_Tables_number   1
_cell_volume   567.981
_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  0.227  0.880  0.120  1.0
  Rb  Rb1  1  0.773  0.120  0.880  1.0
  Rb  Rb2  1  0.273  0.380  0.620  1.0
  Rb  Rb3  1  0.727  0.620  0.380  1.0
  Hg  Hg4  1  0.250  0.250  0.250  1.0
  Hg  Hg5  1  0.750  0.750  0.750  1.0
  Hg  Hg6  1  0.250  0.589  0.911  1.0
  Hg  Hg7  1  0.250  0.911  0.589  1.0
  Hg  Hg8  1  0.750  0.411  0.089  1.0
  Hg  Hg9  1  0.750  0.089  0.411  1.0
  Se  Se10  1  0.359  0.496  0.233  1.0
  Se  Se11  1  0.911  0.233  0.496  1.0
  Se  Se12  1  0.141  0.267  0.004  1.0
  Se  Se13  1  0.589  0.004  0.267  1.0
  Se  Se14  1  0.641  0.504  0.767  1.0
  Se  Se15  1  0.089  0.767  0.504  1.0
  Se  Se16  1  0.859  0.733  0.996  1.0
  Se  Se17  1  0.411  0.996  0.733  1.0
[/CIF]
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The material structure described by Rb2Hg3Se4 crystallizes in the orthorhombic Ibam space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent Hg(2) and eight equivalent Se(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to two equivalent Rb(1) and two equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1), one Hg(1), and one Hg(2) atom. is represented by the CIF card [CIF]
data_Rb2Hg3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.537
_cell_length_b   9.979
_cell_length_c   9.979
_cell_angle_alpha   72.781
_cell_angle_beta   70.879
_cell_angle_gamma   70.879
_symmetry_Int_Tables_number   1
_cell_volume   567.981
_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  0.227  0.880  0.120  1.0
  Rb  Rb1  1  0.773  0.120  0.880  1.0
  Rb  Rb2  1  0.273  0.380  0.620  1.0
  Rb  Rb3  1  0.727  0.620  0.380  1.0
  Hg  Hg4  1  0.250  0.250  0.250  1.0
  Hg  Hg5  1  0.750  0.750  0.750  1.0
  Hg  Hg6  1  0.250  0.589  0.911  1.0
  Hg  Hg7  1  0.250  0.911  0.589  1.0
  Hg  Hg8  1  0.750  0.411  0.089  1.0
  Hg  Hg9  1  0.750  0.089  0.411  1.0
  Se  Se10  1  0.359  0.496  0.233  1.0
  Se  Se11  1  0.911  0.233  0.496  1.0
  Se  Se12  1  0.141  0.267  0.004  1.0
  Se  Se13  1  0.589  0.004  0.267  1.0
  Se  Se14  1  0.641  0.504  0.767  1.0
  Se  Se15  1  0.089  0.767  0.504  1.0
  Se  Se16  1  0.859  0.733  0.996  1.0
  Se  Se17  1  0.411  0.996  0.733  1.0
[/CIF]
.