The material structure described by BaSi23 crystallizes in the cubic Pm-3n space group. Ba(1) is bonded in a 20-coordinate geometry to eight equivalent Si(2) and twelve equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(2) is bonded in a distorted pentagonal planar geometry to one Ba(1), one Si(2), and three equivalent Si(3) atoms. In the second Si site, Si(1) is bonded in a tetrahedral geometry to four equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 5-coordinate geometry to one Ba(1), one Si(1), one Si(3), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_BaSi23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.273
_cell_length_b   10.273
_cell_length_c   10.273
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1084.304
_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  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.000  0.500  0.750  1.0
  Si  Si3  1  0.500  0.250  0.000  1.0
  Si  Si4  1  0.750  0.000  0.500  1.0
  Si  Si5  1  0.000  0.500  0.250  1.0
  Si  Si6  1  0.500  0.750  0.000  1.0
  Si  Si7  1  0.250  0.000  0.500  1.0
  Si  Si8  1  0.685  0.315  0.685  1.0
  Si  Si9  1  0.315  0.685  0.315  1.0
  Si  Si10  1  0.685  0.685  0.315  1.0
  Si  Si11  1  0.315  0.315  0.685  1.0
  Si  Si12  1  0.315  0.685  0.685  1.0
  Si  Si13  1  0.685  0.315  0.315  1.0
  Si  Si14  1  0.315  0.315  0.315  1.0
  Si  Si15  1  0.685  0.685  0.685  1.0
  Si  Si16  1  0.185  0.185  0.815  1.0
  Si  Si17  1  0.815  0.815  0.185  1.0
  Si  Si18  1  0.185  0.815  0.185  1.0
  Si  Si19  1  0.815  0.185  0.815  1.0
  Si  Si20  1  0.815  0.185  0.185  1.0
  Si  Si21  1  0.185  0.815  0.815  1.0
  Si  Si22  1  0.815  0.815  0.815  1.0
  Si  Si23  1  0.185  0.185  0.185  1.0
  Si  Si24  1  0.617  0.190  0.500  1.0
  Si  Si25  1  0.810  0.500  0.617  1.0
  Si  Si26  1  0.500  0.383  0.810  1.0
  Si  Si27  1  0.383  0.810  0.500  1.0
  Si  Si28  1  0.190  0.500  0.383  1.0
  Si  Si29  1  0.500  0.617  0.190  1.0
  Si  Si30  1  0.617  0.810  0.500  1.0
  Si  Si31  1  0.810  0.500  0.383  1.0
  Si  Si32  1  0.383  0.190  0.500  1.0
  Si  Si33  1  0.190  0.500  0.617  1.0
  Si  Si34  1  0.500  0.617  0.810  1.0
  Si  Si35  1  0.500  0.383  0.190  1.0
  Si  Si36  1  0.117  0.000  0.690  1.0
  Si  Si37  1  0.310  0.117  0.000  1.0
  Si  Si38  1  0.000  0.310  0.883  1.0
  Si  Si39  1  0.883  0.000  0.310  1.0
  Si  Si40  1  0.690  0.883  0.000  1.0
  Si  Si41  1  0.000  0.690  0.117  1.0
  Si  Si42  1  0.117  0.000  0.310  1.0
  Si  Si43  1  0.310  0.883  0.000  1.0
  Si  Si44  1  0.883  0.000  0.690  1.0
  Si  Si45  1  0.690  0.117  0.000  1.0
  Si  Si46  1  0.000  0.310  0.117  1.0
  Si  Si47  1  0.000  0.690  0.883  1.0
[/CIF]
.
The material structure described by BaSi23 crystallizes in the cubic Pm-3n space group. Ba(1) is bonded in a 20-coordinate geometry to eight equivalent Si(2) and twelve equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(2) is bonded in a distorted pentagonal planar geometry to one Ba(1), one Si(2), and three equivalent Si(3) atoms. In the second Si site, Si(1) is bonded in a tetrahedral geometry to four equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 5-coordinate geometry to one Ba(1), one Si(1), one Si(3), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_BaSi23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.273
_cell_length_b   10.273
_cell_length_c   10.273
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1084.304
_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  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.000  0.500  0.750  1.0
  Si  Si3  1  0.500  0.250  0.000  1.0
  Si  Si4  1  0.750  0.000  0.500  1.0
  Si  Si5  1  0.000  0.500  0.250  1.0
  Si  Si6  1  0.500  0.750  0.000  1.0
  Si  Si7  1  0.250  0.000  0.500  1.0
  Si  Si8  1  0.685  0.315  0.685  1.0
  Si  Si9  1  0.315  0.685  0.315  1.0
  Si  Si10  1  0.685  0.685  0.315  1.0
  Si  Si11  1  0.315  0.315  0.685  1.0
  Si  Si12  1  0.315  0.685  0.685  1.0
  Si  Si13  1  0.685  0.315  0.315  1.0
  Si  Si14  1  0.315  0.315  0.315  1.0
  Si  Si15  1  0.685  0.685  0.685  1.0
  Si  Si16  1  0.185  0.185  0.815  1.0
  Si  Si17  1  0.815  0.815  0.185  1.0
  Si  Si18  1  0.185  0.815  0.185  1.0
  Si  Si19  1  0.815  0.185  0.815  1.0
  Si  Si20  1  0.815  0.185  0.185  1.0
  Si  Si21  1  0.185  0.815  0.815  1.0
  Si  Si22  1  0.815  0.815  0.815  1.0
  Si  Si23  1  0.185  0.185  0.185  1.0
  Si  Si24  1  0.617  0.190  0.500  1.0
  Si  Si25  1  0.810  0.500  0.617  1.0
  Si  Si26  1  0.500  0.383  0.810  1.0
  Si  Si27  1  0.383  0.810  0.500  1.0
  Si  Si28  1  0.190  0.500  0.383  1.0
  Si  Si29  1  0.500  0.617  0.190  1.0
  Si  Si30  1  0.617  0.810  0.500  1.0
  Si  Si31  1  0.810  0.500  0.383  1.0
  Si  Si32  1  0.383  0.190  0.500  1.0
  Si  Si33  1  0.190  0.500  0.617  1.0
  Si  Si34  1  0.500  0.617  0.810  1.0
  Si  Si35  1  0.500  0.383  0.190  1.0
  Si  Si36  1  0.117  0.000  0.690  1.0
  Si  Si37  1  0.310  0.117  0.000  1.0
  Si  Si38  1  0.000  0.310  0.883  1.0
  Si  Si39  1  0.883  0.000  0.310  1.0
  Si  Si40  1  0.690  0.883  0.000  1.0
  Si  Si41  1  0.000  0.690  0.117  1.0
  Si  Si42  1  0.117  0.000  0.310  1.0
  Si  Si43  1  0.310  0.883  0.000  1.0
  Si  Si44  1  0.883  0.000  0.690  1.0
  Si  Si45  1  0.690  0.117  0.000  1.0
  Si  Si46  1  0.000  0.310  0.117  1.0
  Si  Si47  1  0.000  0.690  0.883  1.0
[/CIF]
.