The crystal structure described by Ba4Si23 crystallizes in the cubic Pm-3n space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 20-coordinate geometry to eight equivalent Si(1) and twelve equivalent Si(2) atoms. In the second Ba site, Ba(2) is bonded in a 20-coordinate geometry to four equivalent Si(3), eight equivalent Si(1), and eight equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent Ba(2), one Si(1), and three equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Ba(1), two equivalent Ba(2), one Si(2), one Si(3), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded to four equivalent Ba(2) and four equivalent Si(2) atoms to form a mixture of distorted corner and edge-sharing SiBa4Si4 tetrahedra. is represented by the CIF card [CIF]
data_Ba4Si23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.404
_cell_length_b   10.404
_cell_length_c   10.404
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1126.256
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.250  0.500  0.000  1.0
  Ba  Ba2  1  0.000  0.250  0.500  1.0
  Ba  Ba3  1  0.500  0.000  0.750  1.0
  Ba  Ba4  1  0.500  0.000  0.250  1.0
  Ba  Ba5  1  0.750  0.500  0.000  1.0
  Ba  Ba6  1  0.500  0.500  0.500  1.0
  Ba  Ba7  1  0.000  0.750  0.500  1.0
  Si  Si8  1  0.185  0.815  0.185  1.0
  Si  Si9  1  0.815  0.185  0.185  1.0
  Si  Si10  1  0.194  0.500  0.621  1.0
  Si  Si11  1  0.500  0.379  0.806  1.0
  Si  Si12  1  0.379  0.194  0.500  1.0
  Si  Si13  1  0.685  0.315  0.315  1.0
  Si  Si14  1  0.000  0.694  0.879  1.0
  Si  Si15  1  0.806  0.500  0.621  1.0
  Si  Si16  1  0.185  0.185  0.815  1.0
  Si  Si17  1  0.694  0.879  0.000  1.0
  Si  Si18  1  0.806  0.500  0.379  1.0
  Si  Si19  1  0.000  0.306  0.121  1.0
  Si  Si20  1  0.000  0.500  0.250  1.0
  Si  Si21  1  0.694  0.121  0.000  1.0
  Si  Si22  1  0.685  0.685  0.315  1.0
  Si  Si23  1  0.500  0.621  0.194  1.0
  Si  Si24  1  0.306  0.879  0.000  1.0
  Si  Si25  1  0.121  0.000  0.306  1.0
  Si  Si26  1  0.306  0.121  0.000  1.0
  Si  Si27  1  0.815  0.815  0.815  1.0
  Si  Si28  1  0.315  0.685  0.315  1.0
  Si  Si29  1  0.185  0.815  0.815  1.0
  Si  Si30  1  0.685  0.315  0.685  1.0
  Si  Si31  1  0.315  0.315  0.315  1.0
  Si  Si32  1  0.500  0.621  0.806  1.0
  Si  Si33  1  0.879  0.000  0.306  1.0
  Si  Si34  1  0.000  0.694  0.121  1.0
  Si  Si35  1  0.815  0.815  0.185  1.0
  Si  Si36  1  0.879  0.000  0.694  1.0
  Si  Si37  1  0.500  0.750  0.000  1.0
  Si  Si38  1  0.685  0.685  0.685  1.0
  Si  Si39  1  0.315  0.315  0.685  1.0
  Si  Si40  1  0.621  0.194  0.500  1.0
  Si  Si41  1  0.250  0.000  0.500  1.0
  Si  Si42  1  0.621  0.806  0.500  1.0
  Si  Si43  1  0.379  0.806  0.500  1.0
  Si  Si44  1  0.194  0.500  0.379  1.0
  Si  Si45  1  0.815  0.185  0.815  1.0
  Si  Si46  1  0.000  0.306  0.879  1.0
  Si  Si47  1  0.121  0.000  0.694  1.0
  Si  Si48  1  0.000  0.500  0.750  1.0
  Si  Si49  1  0.315  0.685  0.685  1.0
  Si  Si50  1  0.500  0.379  0.194  1.0
  Si  Si51  1  0.750  0.000  0.500  1.0
  Si  Si52  1  0.500  0.250  0.000  1.0
  Si  Si53  1  0.185  0.185  0.185  1.0
[/CIF]
.
The crystal structure described by Ba4Si23 crystallizes in the cubic Pm-3n space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 20-coordinate geometry to eight equivalent Si(1) and twelve equivalent Si(2) atoms. In the second Ba site, Ba(2) is bonded in a 20-coordinate geometry to four equivalent Si(3), eight equivalent Si(1), and eight equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent Ba(2), one Si(1), and three equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Ba(1), two equivalent Ba(2), one Si(2), one Si(3), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded to four equivalent Ba(2) and four equivalent Si(2) atoms to form a mixture of distorted corner and edge-sharing SiBa4Si4 tetrahedra. is represented by the CIF card [CIF]
data_Ba4Si23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.404
_cell_length_b   10.404
_cell_length_c   10.404
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1126.256
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.250  0.500  0.000  1.0
  Ba  Ba2  1  0.000  0.250  0.500  1.0
  Ba  Ba3  1  0.500  0.000  0.750  1.0
  Ba  Ba4  1  0.500  0.000  0.250  1.0
  Ba  Ba5  1  0.750  0.500  0.000  1.0
  Ba  Ba6  1  0.500  0.500  0.500  1.0
  Ba  Ba7  1  0.000  0.750  0.500  1.0
  Si  Si8  1  0.185  0.815  0.185  1.0
  Si  Si9  1  0.815  0.185  0.185  1.0
  Si  Si10  1  0.194  0.500  0.621  1.0
  Si  Si11  1  0.500  0.379  0.806  1.0
  Si  Si12  1  0.379  0.194  0.500  1.0
  Si  Si13  1  0.685  0.315  0.315  1.0
  Si  Si14  1  0.000  0.694  0.879  1.0
  Si  Si15  1  0.806  0.500  0.621  1.0
  Si  Si16  1  0.185  0.185  0.815  1.0
  Si  Si17  1  0.694  0.879  0.000  1.0
  Si  Si18  1  0.806  0.500  0.379  1.0
  Si  Si19  1  0.000  0.306  0.121  1.0
  Si  Si20  1  0.000  0.500  0.250  1.0
  Si  Si21  1  0.694  0.121  0.000  1.0
  Si  Si22  1  0.685  0.685  0.315  1.0
  Si  Si23  1  0.500  0.621  0.194  1.0
  Si  Si24  1  0.306  0.879  0.000  1.0
  Si  Si25  1  0.121  0.000  0.306  1.0
  Si  Si26  1  0.306  0.121  0.000  1.0
  Si  Si27  1  0.815  0.815  0.815  1.0
  Si  Si28  1  0.315  0.685  0.315  1.0
  Si  Si29  1  0.185  0.815  0.815  1.0
  Si  Si30  1  0.685  0.315  0.685  1.0
  Si  Si31  1  0.315  0.315  0.315  1.0
  Si  Si32  1  0.500  0.621  0.806  1.0
  Si  Si33  1  0.879  0.000  0.306  1.0
  Si  Si34  1  0.000  0.694  0.121  1.0
  Si  Si35  1  0.815  0.815  0.185  1.0
  Si  Si36  1  0.879  0.000  0.694  1.0
  Si  Si37  1  0.500  0.750  0.000  1.0
  Si  Si38  1  0.685  0.685  0.685  1.0
  Si  Si39  1  0.315  0.315  0.685  1.0
  Si  Si40  1  0.621  0.194  0.500  1.0
  Si  Si41  1  0.250  0.000  0.500  1.0
  Si  Si42  1  0.621  0.806  0.500  1.0
  Si  Si43  1  0.379  0.806  0.500  1.0
  Si  Si44  1  0.194  0.500  0.379  1.0
  Si  Si45  1  0.815  0.185  0.815  1.0
  Si  Si46  1  0.000  0.306  0.879  1.0
  Si  Si47  1  0.121  0.000  0.694  1.0
  Si  Si48  1  0.000  0.500  0.750  1.0
  Si  Si49  1  0.315  0.685  0.685  1.0
  Si  Si50  1  0.500  0.379  0.194  1.0
  Si  Si51  1  0.750  0.000  0.500  1.0
  Si  Si52  1  0.500  0.250  0.000  1.0
  Si  Si53  1  0.185  0.185  0.185  1.0
[/CIF]
.