The crystal structure described by Ca(AlCl4)2 crystallizes in the tetragonal I4_1/acd space group. The structure consists of a Ca(AlCl4)2 framework. Ca(1) is bonded in a 8-coordinate geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. Al(1) is bonded in a tetrahedral geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted L-shaped geometry to one Ca(1) and one Al(1) atom. In the second Cl site, Cl(1) is bonded in a water-like geometry to one Ca(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_Ca(AlCl4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.716
_cell_length_b   12.716
_cell_length_c   12.716
_cell_angle_alpha   126.394
_cell_angle_beta   126.394
_cell_angle_gamma   79.241
_symmetry_Int_Tables_number   1
_cell_volume   1288.146
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.750  0.250  0.500  1.0
  Ca  Ca2  1  0.250  0.750  0.500  1.0
  Ca  Ca3  1  0.500  0.500  1.000  1.0
  Al  Al4  1  0.600  0.875  0.225  1.0
  Al  Al5  1  0.125  0.850  0.225  1.0
  Al  Al6  1  0.125  0.350  0.725  1.0
  Al  Al7  1  0.650  0.375  0.775  1.0
  Al  Al8  1  0.625  0.900  0.774  1.0
  Al  Al9  1  0.100  0.875  0.725  1.0
  Al  Al10  1  0.150  0.375  0.275  1.0
  Al  Al11  1  0.625  0.400  0.275  1.0
  Cl  Cl12  1  0.565  0.203  0.195  1.0
  Cl  Cl13  1  0.120  0.815  0.862  1.0
  Cl  Cl14  1  0.742  0.880  0.695  1.0
  Cl  Cl15  1  0.255  0.224  0.218  1.0
  Cl  Cl16  1  0.755  0.537  0.031  1.0
  Cl  Cl17  1  0.787  0.505  0.531  1.0
  Cl  Cl18  1  0.185  0.047  0.305  1.0
  Cl  Cl19  1  0.953  0.258  0.138  1.0
  Cl  Cl20  1  0.508  0.703  0.638  1.0
  Cl  Cl21  1  0.276  0.245  0.782  1.0
  Cl  Cl22  1  0.006  0.037  0.782  1.0
  Cl  Cl23  1  0.995  0.713  0.469  1.0
  Cl  Cl24  1  0.963  0.745  0.969  1.0
  Cl  Cl25  1  0.130  0.492  0.195  1.0
  Cl  Cl26  1  0.242  0.547  0.862  1.0
  Cl  Cl27  1  0.620  0.758  0.305  1.0
  Cl  Cl28  1  0.744  0.213  0.718  1.0
  Cl  Cl29  1  0.297  0.935  0.805  1.0
  Cl  Cl30  1  0.453  0.315  0.695  1.0
  Cl  Cl31  1  0.008  0.370  0.805  1.0
  Cl  Cl32  1  0.287  0.756  0.282  1.0
  Cl  Cl33  1  0.463  0.494  0.218  1.0
  Cl  Cl34  1  0.630  0.435  0.638  1.0
  Cl  Cl35  1  0.685  0.380  0.138  1.0
  Cl  Cl36  1  0.244  0.526  0.531  1.0
  Cl  Cl37  1  0.495  0.026  0.282  1.0
  Cl  Cl38  1  0.065  0.870  0.362  1.0
  Cl  Cl39  1  0.474  0.005  0.718  1.0
  Cl  Cl40  1  0.506  0.724  0.969  1.0
  Cl  Cl41  1  0.974  0.256  0.469  1.0
  Cl  Cl42  1  0.797  0.992  0.362  1.0
  Cl  Cl43  1  0.776  0.994  0.031  1.0
[/CIF]
.
The crystal structure described by Ca(AlCl4)2 crystallizes in the tetragonal I4_1/acd space group. The structure consists of a Ca(AlCl4)2 framework. Ca(1) is bonded in a 8-coordinate geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. Al(1) is bonded in a tetrahedral geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted L-shaped geometry to one Ca(1) and one Al(1) atom. In the second Cl site, Cl(1) is bonded in a water-like geometry to one Ca(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_Ca(AlCl4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.716
_cell_length_b   12.716
_cell_length_c   12.716
_cell_angle_alpha   126.394
_cell_angle_beta   126.394
_cell_angle_gamma   79.241
_symmetry_Int_Tables_number   1
_cell_volume   1288.146
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.750  0.250  0.500  1.0
  Ca  Ca2  1  0.250  0.750  0.500  1.0
  Ca  Ca3  1  0.500  0.500  1.000  1.0
  Al  Al4  1  0.600  0.875  0.225  1.0
  Al  Al5  1  0.125  0.850  0.225  1.0
  Al  Al6  1  0.125  0.350  0.725  1.0
  Al  Al7  1  0.650  0.375  0.775  1.0
  Al  Al8  1  0.625  0.900  0.774  1.0
  Al  Al9  1  0.100  0.875  0.725  1.0
  Al  Al10  1  0.150  0.375  0.275  1.0
  Al  Al11  1  0.625  0.400  0.275  1.0
  Cl  Cl12  1  0.565  0.203  0.195  1.0
  Cl  Cl13  1  0.120  0.815  0.862  1.0
  Cl  Cl14  1  0.742  0.880  0.695  1.0
  Cl  Cl15  1  0.255  0.224  0.218  1.0
  Cl  Cl16  1  0.755  0.537  0.031  1.0
  Cl  Cl17  1  0.787  0.505  0.531  1.0
  Cl  Cl18  1  0.185  0.047  0.305  1.0
  Cl  Cl19  1  0.953  0.258  0.138  1.0
  Cl  Cl20  1  0.508  0.703  0.638  1.0
  Cl  Cl21  1  0.276  0.245  0.782  1.0
  Cl  Cl22  1  0.006  0.037  0.782  1.0
  Cl  Cl23  1  0.995  0.713  0.469  1.0
  Cl  Cl24  1  0.963  0.745  0.969  1.0
  Cl  Cl25  1  0.130  0.492  0.195  1.0
  Cl  Cl26  1  0.242  0.547  0.862  1.0
  Cl  Cl27  1  0.620  0.758  0.305  1.0
  Cl  Cl28  1  0.744  0.213  0.718  1.0
  Cl  Cl29  1  0.297  0.935  0.805  1.0
  Cl  Cl30  1  0.453  0.315  0.695  1.0
  Cl  Cl31  1  0.008  0.370  0.805  1.0
  Cl  Cl32  1  0.287  0.756  0.282  1.0
  Cl  Cl33  1  0.463  0.494  0.218  1.0
  Cl  Cl34  1  0.630  0.435  0.638  1.0
  Cl  Cl35  1  0.685  0.380  0.138  1.0
  Cl  Cl36  1  0.244  0.526  0.531  1.0
  Cl  Cl37  1  0.495  0.026  0.282  1.0
  Cl  Cl38  1  0.065  0.870  0.362  1.0
  Cl  Cl39  1  0.474  0.005  0.718  1.0
  Cl  Cl40  1  0.506  0.724  0.969  1.0
  Cl  Cl41  1  0.974  0.256  0.469  1.0
  Cl  Cl42  1  0.797  0.992  0.362  1.0
  Cl  Cl43  1  0.776  0.994  0.031  1.0
[/CIF]
.