The compound described by Cs4Sn23 crystallizes in the cubic Pm-3n space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to four equivalent Sn(2) and eight equivalent Sn(1) atoms. In the second Cs site, Cs(2) is bonded in a 20-coordinate geometry to eight equivalent Sn(3) and twelve equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Cs(2), two equivalent Cs(1), one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Cs(1) and four equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SnCs4Sn4 tetrahedra. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one Cs(2), one Sn(3), and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_Cs4Sn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.589
_cell_length_b   12.589
_cell_length_c   12.589
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1994.999
_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
  Cs  Cs6  1  0.500  0.500  0.500  1.0
  Cs  Cs7  1  0.000  0.000  0.000  1.0
  Sn  Sn8  1  0.500  0.382  0.193  1.0
  Sn  Sn9  1  0.500  0.618  0.807  1.0
  Sn  Sn10  1  0.382  0.193  0.500  1.0
  Sn  Sn11  1  0.618  0.193  0.500  1.0
  Sn  Sn12  1  0.193  0.500  0.382  1.0
  Sn  Sn13  1  0.807  0.500  0.382  1.0
  Sn  Sn14  1  0.000  0.693  0.118  1.0
  Sn  Sn15  1  0.000  0.307  0.882  1.0
  Sn  Sn16  1  0.250  0.000  0.500  1.0
  Sn  Sn17  1  0.750  0.000  0.500  1.0
  Sn  Sn18  1  0.000  0.500  0.250  1.0
  Sn  Sn19  1  0.000  0.500  0.750  1.0
  Sn  Sn20  1  0.500  0.750  0.000  1.0
  Sn  Sn21  1  0.500  0.250  0.000  1.0
  Sn  Sn22  1  0.184  0.184  0.184  1.0
  Sn  Sn23  1  0.684  0.316  0.684  1.0
  Sn  Sn24  1  0.684  0.684  0.316  1.0
  Sn  Sn25  1  0.316  0.684  0.684  1.0
  Sn  Sn26  1  0.816  0.816  0.184  1.0
  Sn  Sn27  1  0.184  0.816  0.816  1.0
  Sn  Sn28  1  0.816  0.184  0.816  1.0
  Sn  Sn29  1  0.316  0.316  0.316  1.0
  Sn  Sn30  1  0.816  0.816  0.816  1.0
  Sn  Sn31  1  0.316  0.684  0.316  1.0
  Sn  Sn32  1  0.316  0.316  0.684  1.0
  Sn  Sn33  1  0.684  0.316  0.316  1.0
  Sn  Sn34  1  0.184  0.184  0.816  1.0
  Sn  Sn35  1  0.816  0.184  0.184  1.0
  Sn  Sn36  1  0.184  0.816  0.184  1.0
  Sn  Sn37  1  0.684  0.684  0.684  1.0
  Sn  Sn38  1  0.000  0.307  0.118  1.0
  Sn  Sn39  1  0.500  0.382  0.807  1.0
  Sn  Sn40  1  0.500  0.618  0.193  1.0
  Sn  Sn41  1  0.618  0.807  0.500  1.0
  Sn  Sn42  1  0.382  0.807  0.500  1.0
  Sn  Sn43  1  0.193  0.500  0.618  1.0
  Sn  Sn44  1  0.807  0.500  0.618  1.0
  Sn  Sn45  1  0.118  0.000  0.307  1.0
  Sn  Sn46  1  0.307  0.118  0.000  1.0
  Sn  Sn47  1  0.693  0.882  0.000  1.0
  Sn  Sn48  1  0.118  0.000  0.693  1.0
  Sn  Sn49  1  0.693  0.118  0.000  1.0
  Sn  Sn50  1  0.882  0.000  0.307  1.0
  Sn  Sn51  1  0.882  0.000  0.693  1.0
  Sn  Sn52  1  0.307  0.882  0.000  1.0
  Sn  Sn53  1  0.000  0.693  0.882  1.0
[/CIF]
.
The compound described by Cs4Sn23 crystallizes in the cubic Pm-3n space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to four equivalent Sn(2) and eight equivalent Sn(1) atoms. In the second Cs site, Cs(2) is bonded in a 20-coordinate geometry to eight equivalent Sn(3) and twelve equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Cs(2), two equivalent Cs(1), one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Cs(1) and four equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SnCs4Sn4 tetrahedra. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one Cs(2), one Sn(3), and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_Cs4Sn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.589
_cell_length_b   12.589
_cell_length_c   12.589
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1994.999
_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
  Cs  Cs6  1  0.500  0.500  0.500  1.0
  Cs  Cs7  1  0.000  0.000  0.000  1.0
  Sn  Sn8  1  0.500  0.382  0.193  1.0
  Sn  Sn9  1  0.500  0.618  0.807  1.0
  Sn  Sn10  1  0.382  0.193  0.500  1.0
  Sn  Sn11  1  0.618  0.193  0.500  1.0
  Sn  Sn12  1  0.193  0.500  0.382  1.0
  Sn  Sn13  1  0.807  0.500  0.382  1.0
  Sn  Sn14  1  0.000  0.693  0.118  1.0
  Sn  Sn15  1  0.000  0.307  0.882  1.0
  Sn  Sn16  1  0.250  0.000  0.500  1.0
  Sn  Sn17  1  0.750  0.000  0.500  1.0
  Sn  Sn18  1  0.000  0.500  0.250  1.0
  Sn  Sn19  1  0.000  0.500  0.750  1.0
  Sn  Sn20  1  0.500  0.750  0.000  1.0
  Sn  Sn21  1  0.500  0.250  0.000  1.0
  Sn  Sn22  1  0.184  0.184  0.184  1.0
  Sn  Sn23  1  0.684  0.316  0.684  1.0
  Sn  Sn24  1  0.684  0.684  0.316  1.0
  Sn  Sn25  1  0.316  0.684  0.684  1.0
  Sn  Sn26  1  0.816  0.816  0.184  1.0
  Sn  Sn27  1  0.184  0.816  0.816  1.0
  Sn  Sn28  1  0.816  0.184  0.816  1.0
  Sn  Sn29  1  0.316  0.316  0.316  1.0
  Sn  Sn30  1  0.816  0.816  0.816  1.0
  Sn  Sn31  1  0.316  0.684  0.316  1.0
  Sn  Sn32  1  0.316  0.316  0.684  1.0
  Sn  Sn33  1  0.684  0.316  0.316  1.0
  Sn  Sn34  1  0.184  0.184  0.816  1.0
  Sn  Sn35  1  0.816  0.184  0.184  1.0
  Sn  Sn36  1  0.184  0.816  0.184  1.0
  Sn  Sn37  1  0.684  0.684  0.684  1.0
  Sn  Sn38  1  0.000  0.307  0.118  1.0
  Sn  Sn39  1  0.500  0.382  0.807  1.0
  Sn  Sn40  1  0.500  0.618  0.193  1.0
  Sn  Sn41  1  0.618  0.807  0.500  1.0
  Sn  Sn42  1  0.382  0.807  0.500  1.0
  Sn  Sn43  1  0.193  0.500  0.618  1.0
  Sn  Sn44  1  0.807  0.500  0.618  1.0
  Sn  Sn45  1  0.118  0.000  0.307  1.0
  Sn  Sn46  1  0.307  0.118  0.000  1.0
  Sn  Sn47  1  0.693  0.882  0.000  1.0
  Sn  Sn48  1  0.118  0.000  0.693  1.0
  Sn  Sn49  1  0.693  0.118  0.000  1.0
  Sn  Sn50  1  0.882  0.000  0.307  1.0
  Sn  Sn51  1  0.882  0.000  0.693  1.0
  Sn  Sn52  1  0.307  0.882  0.000  1.0
  Sn  Sn53  1  0.000  0.693  0.882  1.0
[/CIF]
.