The material structure described by Ba4Al is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Ba4Al clusters. Ba(1) is bonded in a single-bond geometry to one Al(1) atom. Al(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Ba4Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.567
_cell_length_b   9.567
_cell_length_c   9.567
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   619.211
_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  0.386  0.386  0.386  1.0
  Ba  Ba1  1  0.386  0.386  0.841  1.0
  Ba  Ba2  1  0.386  0.841  0.386  1.0
  Ba  Ba3  1  0.864  0.864  0.409  1.0
  Ba  Ba4  1  0.864  0.864  0.864  1.0
  Ba  Ba5  1  0.841  0.386  0.386  1.0
  Ba  Ba6  1  0.864  0.409  0.864  1.0
  Ba  Ba7  1  0.409  0.864  0.864  1.0
  Al  Al8  1  0.000  0.000  0.000  1.0
  Al  Al9  1  0.250  0.250  0.250  1.0
[/CIF]
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The material structure described by Ba4Al is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Ba4Al clusters. Ba(1) is bonded in a single-bond geometry to one Al(1) atom. Al(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Ba4Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.567
_cell_length_b   9.567
_cell_length_c   9.567
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   619.211
_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  0.386  0.386  0.386  1.0
  Ba  Ba1  1  0.386  0.386  0.841  1.0
  Ba  Ba2  1  0.386  0.841  0.386  1.0
  Ba  Ba3  1  0.864  0.864  0.409  1.0
  Ba  Ba4  1  0.864  0.864  0.864  1.0
  Ba  Ba5  1  0.841  0.386  0.386  1.0
  Ba  Ba6  1  0.864  0.409  0.864  1.0
  Ba  Ba7  1  0.409  0.864  0.864  1.0
  Al  Al8  1  0.000  0.000  0.000  1.0
  Al  Al9  1  0.250  0.250  0.250  1.0
[/CIF]
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