The material structure described by NaAl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Na(1) is bonded to twelve equivalent Al(1) atoms to form NaAl12 cuboctahedra that share corners with twelve equivalent Na(1)Al12 cuboctahedra, edges with twenty-four equivalent Al(1)Na4Al8 cuboctahedra, faces with six equivalent Na(1)Al12 cuboctahedra, and faces with twelve equivalent Al(1)Na4Al8 cuboctahedra. Al(1) is bonded to four equivalent Na(1) and eight equivalent Al(1) atoms to form distorted AlNa4Al8 cuboctahedra that share corners with twelve equivalent Al(1)Na4Al8 cuboctahedra, edges with eight equivalent Na(1)Al12 cuboctahedra, edges with sixteen equivalent Al(1)Na4Al8 cuboctahedra, faces with four equivalent Na(1)Al12 cuboctahedra, and faces with fourteen equivalent Al(1)Na4Al8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.220
_cell_length_b   4.220
_cell_length_c   4.220
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.133
_cell_formula_units_Z   1
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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by NaAl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Na(1) is bonded to twelve equivalent Al(1) atoms to form NaAl12 cuboctahedra that share corners with twelve equivalent Na(1)Al12 cuboctahedra, edges with twenty-four equivalent Al(1)Na4Al8 cuboctahedra, faces with six equivalent Na(1)Al12 cuboctahedra, and faces with twelve equivalent Al(1)Na4Al8 cuboctahedra. Al(1) is bonded to four equivalent Na(1) and eight equivalent Al(1) atoms to form distorted AlNa4Al8 cuboctahedra that share corners with twelve equivalent Al(1)Na4Al8 cuboctahedra, edges with eight equivalent Na(1)Al12 cuboctahedra, edges with sixteen equivalent Al(1)Na4Al8 cuboctahedra, faces with four equivalent Na(1)Al12 cuboctahedra, and faces with fourteen equivalent Al(1)Na4Al8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.220
_cell_length_b   4.220
_cell_length_c   4.220
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.133
_cell_formula_units_Z   1
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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
[/CIF]
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