The compound described by Cs3Hg20 crystallizes in the cubic Pm-3n space group. There are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 20-coordinate geometry to four Hg(2,2,2,2); four Hg(3,3,3,3); and twelve Hg(1,1,1,1,1,1,1) atoms. In the second Cs site, Cs(1) is bonded in a 20-coordinate geometry to four Hg(2,2,2); four Hg(3,3,3,3); and twelve Hg(1,1,1,1,1,1,1,1,1) atoms. In the third Cs site, Cs(1) is bonded in a 20-coordinate geometry to four Hg(2,2,2,2); four Hg(3,3,3,3); and twelve Hg(1,1,1,1,1,1,1,1,1) atoms. In the fourth Cs site, Cs(1) is bonded in a 20-coordinate geometry to four Hg(2,2,2,2); four Hg(3,3,3,3); and twelve Hg(1,1,1,1,1,1,1,1) atoms. In the fifth Cs site, Cs(1) is bonded in a 20-coordinate geometry to four Hg(2,2,2,2); four Hg(3,3,3,3); and twelve Hg(1,1,1,1,1,1) atoms. There are twenty-seven inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two equivalent Hg(2) atoms. In the second Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the third Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the fourth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the fifth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the sixth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the seventh Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the eighth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the ninth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the tenth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the eleventh Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the twelfth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the thirteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1) atoms. In the fourteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1,1,1) atoms. In the fifteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1,1,1) atoms. In the sixteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1) atoms. In the seventeenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1,1,1) atoms. In the eighteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1,1,1) atoms. In the nineteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1,1) atoms. In the twentieth Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1) and four Hg(1,1,1,1) atoms. In the twenty-first Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1) and four Hg(1,1,1,1) atoms. In the twenty-second Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1) and four Hg(1,1,1) atoms. In the twenty-third Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1) and four Hg(1,1,1) atoms. In the twenty-fourth Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1,1) and four Hg(1,1,1,1) atoms. In the twenty-fifth Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1,1) and four Hg(1,1,1,1) atoms. In the twenty-sixth Hg site, Hg(4) is bonded in a cuboctahedral geometry to twelve Hg(1,1,1,1,1,1,1,1) atoms. In the twenty-seventh Hg site, Hg(4) is bonded in a cuboctahedral geometry to twelve Hg(1,1,1,1,1,1,1,1,1,1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Hg20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.372
_cell_length_b   11.372
_cell_length_c   11.372
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1470.549
_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
  Cs  Cs0  1  0.000  0.250  0.500  1.0
  Cs  Cs1  1  0.000  0.750  0.500  1.0
  Cs  Cs2  1  0.500  0.000  0.750  1.0
  Cs  Cs3  1  0.500  0.000  0.250  1.0
  Cs  Cs4  1  0.750  0.500  0.000  1.0
  Cs  Cs5  1  0.250  0.500  0.000  1.0
  Hg  Hg6  1  0.500  0.635  0.756  1.0
  Hg  Hg7  1  0.365  0.756  0.500  1.0
  Hg  Hg8  1  0.635  0.244  0.500  1.0
  Hg  Hg9  1  0.000  0.256  0.135  1.0
  Hg  Hg10  1  0.135  0.000  0.256  1.0
  Hg  Hg11  1  0.865  0.000  0.256  1.0
  Hg  Hg12  1  0.000  0.744  0.865  1.0
  Hg  Hg13  1  0.865  0.000  0.744  1.0
  Hg  Hg14  1  0.000  0.744  0.135  1.0
  Hg  Hg15  1  0.000  0.256  0.865  1.0
  Hg  Hg16  1  0.135  0.000  0.744  1.0
  Hg  Hg17  1  0.256  0.865  0.000  1.0
  Hg  Hg18  1  0.744  0.135  0.000  1.0
  Hg  Hg19  1  0.744  0.865  0.000  1.0
  Hg  Hg20  1  0.635  0.756  0.500  1.0
  Hg  Hg21  1  0.365  0.244  0.500  1.0
  Hg  Hg22  1  0.500  0.365  0.756  1.0
  Hg  Hg23  1  0.500  0.365  0.244  1.0
  Hg  Hg24  1  0.244  0.500  0.635  1.0
  Hg  Hg25  1  0.244  0.500  0.365  1.0
  Hg  Hg26  1  0.250  0.250  0.250  1.0
  Hg  Hg27  1  0.750  0.250  0.750  1.0
  Hg  Hg28  1  0.750  0.750  0.250  1.0
  Hg  Hg29  1  0.250  0.750  0.750  1.0
  Hg  Hg30  1  0.750  0.750  0.750  1.0
  Hg  Hg31  1  0.250  0.750  0.250  1.0
  Hg  Hg32  1  0.250  0.250  0.750  1.0
  Hg  Hg33  1  0.750  0.250  0.250  1.0
  Hg  Hg34  1  0.250  0.000  0.500  1.0
  Hg  Hg35  1  0.750  0.000  0.500  1.0
  Hg  Hg36  1  0.000  0.500  0.250  1.0
  Hg  Hg37  1  0.000  0.500  0.750  1.0
  Hg  Hg38  1  0.500  0.750  0.000  1.0
  Hg  Hg39  1  0.500  0.250  0.000  1.0
  Hg  Hg40  1  0.500  0.635  0.244  1.0
  Hg  Hg41  1  0.756  0.500  0.365  1.0
  Hg  Hg42  1  0.756  0.500  0.635  1.0
  Hg  Hg43  1  0.256  0.135  0.000  1.0
  Hg  Hg44  1  0.500  0.500  0.500  1.0
  Hg  Hg45  1  0.000  0.000  0.000  1.0
[/CIF]
.
The compound described by Cs3Hg20 crystallizes in the cubic Pm-3n space group. There are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 20-coordinate geometry to four Hg(2,2,2,2); four Hg(3,3,3,3); and twelve Hg(1,1,1,1,1,1,1) atoms. In the second Cs site, Cs(1) is bonded in a 20-coordinate geometry to four Hg(2,2,2); four Hg(3,3,3,3); and twelve Hg(1,1,1,1,1,1,1,1,1) atoms. In the third Cs site, Cs(1) is bonded in a 20-coordinate geometry to four Hg(2,2,2,2); four Hg(3,3,3,3); and twelve Hg(1,1,1,1,1,1,1,1,1) atoms. In the fourth Cs site, Cs(1) is bonded in a 20-coordinate geometry to four Hg(2,2,2,2); four Hg(3,3,3,3); and twelve Hg(1,1,1,1,1,1,1,1) atoms. In the fifth Cs site, Cs(1) is bonded in a 20-coordinate geometry to four Hg(2,2,2,2); four Hg(3,3,3,3); and twelve Hg(1,1,1,1,1,1) atoms. There are twenty-seven inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two equivalent Hg(2) atoms. In the second Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the third Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the fourth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the fifth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the sixth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the seventh Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the eighth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the ninth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the tenth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the eleventh Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the twelfth Hg site, Hg(1) is bonded in a 8-coordinate geometry to three Cs(1,1); one Hg(1); one Hg(3); one Hg(4); and two Hg(2,2) atoms. In the thirteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1) atoms. In the fourteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1,1,1) atoms. In the fifteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1,1,1) atoms. In the sixteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1) atoms. In the seventeenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1,1,1) atoms. In the eighteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1,1,1) atoms. In the nineteenth Hg site, Hg(2) is bonded in a 9-coordinate geometry to three Cs(1,1,1) and six Hg(1,1,1,1,1) atoms. In the twentieth Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1) and four Hg(1,1,1,1) atoms. In the twenty-first Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1) and four Hg(1,1,1,1) atoms. In the twenty-second Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1) and four Hg(1,1,1) atoms. In the twenty-third Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1) and four Hg(1,1,1) atoms. In the twenty-fourth Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1,1) and four Hg(1,1,1,1) atoms. In the twenty-fifth Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to four Cs(1,1,1,1) and four Hg(1,1,1,1) atoms. In the twenty-sixth Hg site, Hg(4) is bonded in a cuboctahedral geometry to twelve Hg(1,1,1,1,1,1,1,1) atoms. In the twenty-seventh Hg site, Hg(4) is bonded in a cuboctahedral geometry to twelve Hg(1,1,1,1,1,1,1,1,1,1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Hg20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.372
_cell_length_b   11.372
_cell_length_c   11.372
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1470.549
_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
  Cs  Cs0  1  0.000  0.250  0.500  1.0
  Cs  Cs1  1  0.000  0.750  0.500  1.0
  Cs  Cs2  1  0.500  0.000  0.750  1.0
  Cs  Cs3  1  0.500  0.000  0.250  1.0
  Cs  Cs4  1  0.750  0.500  0.000  1.0
  Cs  Cs5  1  0.250  0.500  0.000  1.0
  Hg  Hg6  1  0.500  0.635  0.756  1.0
  Hg  Hg7  1  0.365  0.756  0.500  1.0
  Hg  Hg8  1  0.635  0.244  0.500  1.0
  Hg  Hg9  1  0.000  0.256  0.135  1.0
  Hg  Hg10  1  0.135  0.000  0.256  1.0
  Hg  Hg11  1  0.865  0.000  0.256  1.0
  Hg  Hg12  1  0.000  0.744  0.865  1.0
  Hg  Hg13  1  0.865  0.000  0.744  1.0
  Hg  Hg14  1  0.000  0.744  0.135  1.0
  Hg  Hg15  1  0.000  0.256  0.865  1.0
  Hg  Hg16  1  0.135  0.000  0.744  1.0
  Hg  Hg17  1  0.256  0.865  0.000  1.0
  Hg  Hg18  1  0.744  0.135  0.000  1.0
  Hg  Hg19  1  0.744  0.865  0.000  1.0
  Hg  Hg20  1  0.635  0.756  0.500  1.0
  Hg  Hg21  1  0.365  0.244  0.500  1.0
  Hg  Hg22  1  0.500  0.365  0.756  1.0
  Hg  Hg23  1  0.500  0.365  0.244  1.0
  Hg  Hg24  1  0.244  0.500  0.635  1.0
  Hg  Hg25  1  0.244  0.500  0.365  1.0
  Hg  Hg26  1  0.250  0.250  0.250  1.0
  Hg  Hg27  1  0.750  0.250  0.750  1.0
  Hg  Hg28  1  0.750  0.750  0.250  1.0
  Hg  Hg29  1  0.250  0.750  0.750  1.0
  Hg  Hg30  1  0.750  0.750  0.750  1.0
  Hg  Hg31  1  0.250  0.750  0.250  1.0
  Hg  Hg32  1  0.250  0.250  0.750  1.0
  Hg  Hg33  1  0.750  0.250  0.250  1.0
  Hg  Hg34  1  0.250  0.000  0.500  1.0
  Hg  Hg35  1  0.750  0.000  0.500  1.0
  Hg  Hg36  1  0.000  0.500  0.250  1.0
  Hg  Hg37  1  0.000  0.500  0.750  1.0
  Hg  Hg38  1  0.500  0.750  0.000  1.0
  Hg  Hg39  1  0.500  0.250  0.000  1.0
  Hg  Hg40  1  0.500  0.635  0.244  1.0
  Hg  Hg41  1  0.756  0.500  0.365  1.0
  Hg  Hg42  1  0.756  0.500  0.635  1.0
  Hg  Hg43  1  0.256  0.135  0.000  1.0
  Hg  Hg44  1  0.500  0.500  0.500  1.0
  Hg  Hg45  1  0.000  0.000  0.000  1.0
[/CIF]
.