The compound described by Cs5Hg19 crystallizes in the tetragonal I4/m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 17-coordinate geometry to one Hg(4), two equivalent Hg(2), six equivalent Hg(3), and eight equivalent Hg(1) atoms. In the second Cs site, Cs(2) is bonded in a 16-coordinate geometry to eight equivalent Hg(1) and eight equivalent Hg(3) atoms. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 10-coordinate geometry to one Cs(2), four equivalent Cs(1), one Hg(1), one Hg(2), and three equivalent Hg(3) atoms. In the second Hg site, Hg(2) is bonded in a 8-coordinate geometry to four equivalent Cs(1) and four equivalent Hg(1) atoms. In the third Hg site, Hg(3) is bonded in a 10-coordinate geometry to one Cs(2), three equivalent Cs(1), one Hg(4), two equivalent Hg(3), and three equivalent Hg(1) atoms. In the fourth Hg site, Hg(4) is bonded in a cuboctahedral geometry to four equivalent Cs(1) and eight equivalent Hg(3) atoms. is represented by the CIF file [CIF]
data_Cs5Hg19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.197
_cell_length_b   10.197
_cell_length_c   10.197
_cell_angle_alpha   107.361
_cell_angle_beta   107.361
_cell_angle_gamma   113.780
_symmetry_Int_Tables_number   1
_cell_volume   812.825
_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
  Cs  Cs0  1  0.117  0.322  0.439  1.0
  Cs  Cs1  1  0.322  0.883  0.205  1.0
  Cs  Cs2  1  0.678  0.117  0.795  1.0
  Cs  Cs3  1  0.883  0.678  0.561  1.0
  Cs  Cs4  1  0.500  0.500  0.000  1.0
  Hg  Hg5  1  0.524  0.339  0.587  1.0
  Hg  Hg6  1  0.339  0.753  0.815  1.0
  Hg  Hg7  1  0.937  0.524  0.185  1.0
  Hg  Hg8  1  0.753  0.937  0.413  1.0
  Hg  Hg9  1  0.476  0.661  0.413  1.0
  Hg  Hg10  1  0.661  0.247  0.185  1.0
  Hg  Hg11  1  0.063  0.476  0.815  1.0
  Hg  Hg12  1  0.247  0.063  0.587  1.0
  Hg  Hg13  1  0.750  0.250  0.500  1.0
  Hg  Hg14  1  0.250  0.750  0.500  1.0
  Hg  Hg15  1  0.395  0.303  0.252  1.0
  Hg  Hg16  1  0.303  0.051  0.909  1.0
  Hg  Hg17  1  0.143  0.395  0.091  1.0
  Hg  Hg18  1  0.051  0.143  0.748  1.0
  Hg  Hg19  1  0.605  0.697  0.748  1.0
  Hg  Hg20  1  0.697  0.949  0.091  1.0
  Hg  Hg21  1  0.857  0.605  0.909  1.0
  Hg  Hg22  1  0.949  0.857  0.252  1.0
  Hg  Hg23  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Cs5Hg19 crystallizes in the tetragonal I4/m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 17-coordinate geometry to one Hg(4), two equivalent Hg(2), six equivalent Hg(3), and eight equivalent Hg(1) atoms. In the second Cs site, Cs(2) is bonded in a 16-coordinate geometry to eight equivalent Hg(1) and eight equivalent Hg(3) atoms. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 10-coordinate geometry to one Cs(2), four equivalent Cs(1), one Hg(1), one Hg(2), and three equivalent Hg(3) atoms. In the second Hg site, Hg(2) is bonded in a 8-coordinate geometry to four equivalent Cs(1) and four equivalent Hg(1) atoms. In the third Hg site, Hg(3) is bonded in a 10-coordinate geometry to one Cs(2), three equivalent Cs(1), one Hg(4), two equivalent Hg(3), and three equivalent Hg(1) atoms. In the fourth Hg site, Hg(4) is bonded in a cuboctahedral geometry to four equivalent Cs(1) and eight equivalent Hg(3) atoms. is represented by the CIF file [CIF]
data_Cs5Hg19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.197
_cell_length_b   10.197
_cell_length_c   10.197
_cell_angle_alpha   107.361
_cell_angle_beta   107.361
_cell_angle_gamma   113.780
_symmetry_Int_Tables_number   1
_cell_volume   812.825
_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
  Cs  Cs0  1  0.117  0.322  0.439  1.0
  Cs  Cs1  1  0.322  0.883  0.205  1.0
  Cs  Cs2  1  0.678  0.117  0.795  1.0
  Cs  Cs3  1  0.883  0.678  0.561  1.0
  Cs  Cs4  1  0.500  0.500  0.000  1.0
  Hg  Hg5  1  0.524  0.339  0.587  1.0
  Hg  Hg6  1  0.339  0.753  0.815  1.0
  Hg  Hg7  1  0.937  0.524  0.185  1.0
  Hg  Hg8  1  0.753  0.937  0.413  1.0
  Hg  Hg9  1  0.476  0.661  0.413  1.0
  Hg  Hg10  1  0.661  0.247  0.185  1.0
  Hg  Hg11  1  0.063  0.476  0.815  1.0
  Hg  Hg12  1  0.247  0.063  0.587  1.0
  Hg  Hg13  1  0.750  0.250  0.500  1.0
  Hg  Hg14  1  0.250  0.750  0.500  1.0
  Hg  Hg15  1  0.395  0.303  0.252  1.0
  Hg  Hg16  1  0.303  0.051  0.909  1.0
  Hg  Hg17  1  0.143  0.395  0.091  1.0
  Hg  Hg18  1  0.051  0.143  0.748  1.0
  Hg  Hg19  1  0.605  0.697  0.748  1.0
  Hg  Hg20  1  0.697  0.949  0.091  1.0
  Hg  Hg21  1  0.857  0.605  0.909  1.0
  Hg  Hg22  1  0.949  0.857  0.252  1.0
  Hg  Hg23  1  0.000  0.000  0.000  1.0
[/CIF]
.