The crystal structure described by Al3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Zr(1) is bonded to twelve equivalent Al(1) atoms to form ZrAl12 cuboctahedra that share corners with twelve equivalent Zr(1)Al12 cuboctahedra, edges with twenty-four equivalent Al(1)Zr4Al8 cuboctahedra, faces with six equivalent Zr(1)Al12 cuboctahedra, and faces with twelve equivalent Al(1)Zr4Al8 cuboctahedra. Al(1) is bonded to four equivalent Zr(1) and eight equivalent Al(1) atoms to form AlZr4Al8 cuboctahedra that share corners with twelve equivalent Al(1)Zr4Al8 cuboctahedra, edges with eight equivalent Zr(1)Al12 cuboctahedra, edges with sixteen equivalent Al(1)Zr4Al8 cuboctahedra, faces with four equivalent Zr(1)Al12 cuboctahedra, and faces with fourteen equivalent Al(1)Zr4Al8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.082
_cell_length_b   4.082
_cell_length_c   4.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.015
_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
  Zr  Zr0  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 crystal structure described by Al3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Zr(1) is bonded to twelve equivalent Al(1) atoms to form ZrAl12 cuboctahedra that share corners with twelve equivalent Zr(1)Al12 cuboctahedra, edges with twenty-four equivalent Al(1)Zr4Al8 cuboctahedra, faces with six equivalent Zr(1)Al12 cuboctahedra, and faces with twelve equivalent Al(1)Zr4Al8 cuboctahedra. Al(1) is bonded to four equivalent Zr(1) and eight equivalent Al(1) atoms to form AlZr4Al8 cuboctahedra that share corners with twelve equivalent Al(1)Zr4Al8 cuboctahedra, edges with eight equivalent Zr(1)Al12 cuboctahedra, edges with sixteen equivalent Al(1)Zr4Al8 cuboctahedra, faces with four equivalent Zr(1)Al12 cuboctahedra, and faces with fourteen equivalent Al(1)Zr4Al8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.082
_cell_length_b   4.082
_cell_length_c   4.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.015
_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
  Zr  Zr0  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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