The material structure described by CuAlCl4 crystallizes in the tetragonal P-42c space group. Cu(1) is bonded to four equivalent Cl(1) atoms to form CuCl4 tetrahedra that share corners with four equivalent Al(1)Cl4 tetrahedra. Al(1) is bonded to four equivalent Cl(1) atoms to form AlCl4 tetrahedra that share corners with four equivalent Cu(1)Cl4 tetrahedra. Cl(1) is bonded in a water-like geometry to one Cu(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCuCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.435
_cell_length_c   9.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.723
_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
  Al  Al0  1  0.000  0.500  0.250  1.0
  Al  Al1  1  0.500  0.000  0.750  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cl  Cl4  1  0.272  0.233  0.872  1.0
  Cl  Cl5  1  0.728  0.767  0.872  1.0
  Cl  Cl6  1  0.233  0.272  0.372  1.0
  Cl  Cl7  1  0.272  0.767  0.628  1.0
  Cl  Cl8  1  0.728  0.233  0.628  1.0
  Cl  Cl9  1  0.233  0.728  0.128  1.0
  Cl  Cl10  1  0.767  0.272  0.128  1.0
  Cl  Cl11  1  0.767  0.728  0.372  1.0
[/CIF]
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The material structure described by CuAlCl4 crystallizes in the tetragonal P-42c space group. Cu(1) is bonded to four equivalent Cl(1) atoms to form CuCl4 tetrahedra that share corners with four equivalent Al(1)Cl4 tetrahedra. Al(1) is bonded to four equivalent Cl(1) atoms to form AlCl4 tetrahedra that share corners with four equivalent Cu(1)Cl4 tetrahedra. Cl(1) is bonded in a water-like geometry to one Cu(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCuCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.435
_cell_length_c   9.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.723
_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
  Al  Al0  1  0.000  0.500  0.250  1.0
  Al  Al1  1  0.500  0.000  0.750  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cl  Cl4  1  0.272  0.233  0.872  1.0
  Cl  Cl5  1  0.728  0.767  0.872  1.0
  Cl  Cl6  1  0.233  0.272  0.372  1.0
  Cl  Cl7  1  0.272  0.767  0.628  1.0
  Cl  Cl8  1  0.728  0.233  0.628  1.0
  Cl  Cl9  1  0.233  0.728  0.128  1.0
  Cl  Cl10  1  0.767  0.272  0.128  1.0
  Cl  Cl11  1  0.767  0.728  0.372  1.0
[/CIF]
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