The structure described by Zr2Al3 crystallizes in the orthorhombic Fdd2 space group. Zr(1) is bonded in a 9-coordinate geometry to three equivalent Al(1) and six equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1) and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Zr2Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.540
_cell_length_b   5.540
_cell_length_c   7.503
_cell_angle_alpha   100.737
_cell_angle_beta   100.738
_cell_angle_gamma   119.698
_symmetry_Int_Tables_number   1
_cell_volume   185.748
_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
  Zr  Zr0  1  0.865  0.728  0.605  1.0
  Zr  Zr1  1  0.122  0.260  0.395  1.0
  Zr  Zr2  1  0.978  0.615  0.105  1.0
  Zr  Zr3  1  0.510  0.872  0.895  1.0
  Al  Al4  1  0.135  0.134  1.000  1.0
  Al  Al5  1  0.384  0.885  0.500  1.0
  Al  Al6  1  0.455  0.317  0.769  1.0
  Al  Al7  1  0.548  0.686  0.231  1.0
  Al  Al8  1  0.567  0.205  0.269  1.0
  Al  Al9  1  0.936  0.298  0.731  1.0
[/CIF]
.
The structure described by Zr2Al3 crystallizes in the orthorhombic Fdd2 space group. Zr(1) is bonded in a 9-coordinate geometry to three equivalent Al(1) and six equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1) and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Zr2Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.540
_cell_length_b   5.540
_cell_length_c   7.503
_cell_angle_alpha   100.737
_cell_angle_beta   100.738
_cell_angle_gamma   119.698
_symmetry_Int_Tables_number   1
_cell_volume   185.748
_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
  Zr  Zr0  1  0.865  0.728  0.605  1.0
  Zr  Zr1  1  0.122  0.260  0.395  1.0
  Zr  Zr2  1  0.978  0.615  0.105  1.0
  Zr  Zr3  1  0.510  0.872  0.895  1.0
  Al  Al4  1  0.135  0.134  1.000  1.0
  Al  Al5  1  0.384  0.885  0.500  1.0
  Al  Al6  1  0.455  0.317  0.769  1.0
  Al  Al7  1  0.548  0.686  0.231  1.0
  Al  Al8  1  0.567  0.205  0.269  1.0
  Al  Al9  1  0.936  0.298  0.731  1.0
[/CIF]
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