The compound described by BaZn13 crystallizes in the cubic Fm-3c space group. Ba(1) is bonded in a 24-coordinate geometry to twenty-four equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to two equivalent Ba(1), one Zn(2), and nine equivalent Zn(1) atoms. In the second Zn site, Zn(2) is bonded in a cuboctahedral geometry to twelve equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_BaZn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.634
_cell_length_b   8.634
_cell_length_c   8.634
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   455.192
_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  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Zn  Zn2  1  0.798  0.559  0.441  1.0
  Zn  Zn3  1  0.941  0.702  0.059  1.0
  Zn  Zn4  1  0.441  0.798  0.559  1.0
  Zn  Zn5  1  0.559  0.441  0.798  1.0
  Zn  Zn6  1  0.798  0.441  0.202  1.0
  Zn  Zn7  1  0.059  0.941  0.702  1.0
  Zn  Zn8  1  0.559  0.202  0.441  1.0
  Zn  Zn9  1  0.941  0.298  0.702  1.0
  Zn  Zn10  1  0.202  0.798  0.441  1.0
  Zn  Zn11  1  0.702  0.059  0.941  1.0
  Zn  Zn12  1  0.298  0.941  0.059  1.0
  Zn  Zn13  1  0.298  0.702  0.941  1.0
  Zn  Zn14  1  0.298  0.059  0.702  1.0
  Zn  Zn15  1  0.441  0.559  0.202  1.0
  Zn  Zn16  1  0.441  0.202  0.798  1.0
  Zn  Zn17  1  0.702  0.941  0.298  1.0
  Zn  Zn18  1  0.702  0.298  0.059  1.0
  Zn  Zn19  1  0.798  0.202  0.559  1.0
  Zn  Zn20  1  0.941  0.059  0.298  1.0
  Zn  Zn21  1  0.559  0.798  0.202  1.0
  Zn  Zn22  1  0.059  0.702  0.298  1.0
  Zn  Zn23  1  0.202  0.559  0.798  1.0
  Zn  Zn24  1  0.059  0.298  0.941  1.0
  Zn  Zn25  1  0.202  0.441  0.559  1.0
  Zn  Zn26  1  0.000  0.000  0.000  1.0
  Zn  Zn27  1  0.500  0.500  0.500  1.0
[/CIF]
.
The compound described by BaZn13 crystallizes in the cubic Fm-3c space group. Ba(1) is bonded in a 24-coordinate geometry to twenty-four equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to two equivalent Ba(1), one Zn(2), and nine equivalent Zn(1) atoms. In the second Zn site, Zn(2) is bonded in a cuboctahedral geometry to twelve equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_BaZn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.634
_cell_length_b   8.634
_cell_length_c   8.634
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   455.192
_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  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Zn  Zn2  1  0.798  0.559  0.441  1.0
  Zn  Zn3  1  0.941  0.702  0.059  1.0
  Zn  Zn4  1  0.441  0.798  0.559  1.0
  Zn  Zn5  1  0.559  0.441  0.798  1.0
  Zn  Zn6  1  0.798  0.441  0.202  1.0
  Zn  Zn7  1  0.059  0.941  0.702  1.0
  Zn  Zn8  1  0.559  0.202  0.441  1.0
  Zn  Zn9  1  0.941  0.298  0.702  1.0
  Zn  Zn10  1  0.202  0.798  0.441  1.0
  Zn  Zn11  1  0.702  0.059  0.941  1.0
  Zn  Zn12  1  0.298  0.941  0.059  1.0
  Zn  Zn13  1  0.298  0.702  0.941  1.0
  Zn  Zn14  1  0.298  0.059  0.702  1.0
  Zn  Zn15  1  0.441  0.559  0.202  1.0
  Zn  Zn16  1  0.441  0.202  0.798  1.0
  Zn  Zn17  1  0.702  0.941  0.298  1.0
  Zn  Zn18  1  0.702  0.298  0.059  1.0
  Zn  Zn19  1  0.798  0.202  0.559  1.0
  Zn  Zn20  1  0.941  0.059  0.298  1.0
  Zn  Zn21  1  0.559  0.798  0.202  1.0
  Zn  Zn22  1  0.059  0.702  0.298  1.0
  Zn  Zn23  1  0.202  0.559  0.798  1.0
  Zn  Zn24  1  0.059  0.298  0.941  1.0
  Zn  Zn25  1  0.202  0.441  0.559  1.0
  Zn  Zn26  1  0.000  0.000  0.000  1.0
  Zn  Zn27  1  0.500  0.500  0.500  1.0
[/CIF]
.