The structure described by CaCl2 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to two equivalent Cl(1) and three equivalent Cl(2) atoms to form a mixture of distorted corner and edge-sharing CaCl5 trigonal bipyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ca(1) atoms. In the second Cl site, Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_CaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   7.625
_cell_length_c   11.578
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   453.865
_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  0.250  0.360  0.619  1.0
  Ca  Ca1  1  0.250  0.860  0.881  1.0
  Ca  Ca2  1  0.750  0.640  0.381  1.0
  Ca  Ca3  1  0.750  0.140  0.119  1.0
  Cl  Cl4  1  0.750  0.473  0.185  1.0
  Cl  Cl5  1  0.250  0.027  0.685  1.0
  Cl  Cl6  1  0.250  0.527  0.815  1.0
  Cl  Cl7  1  0.750  0.973  0.315  1.0
  Cl  Cl8  1  0.750  0.359  0.537  1.0
  Cl  Cl9  1  0.250  0.641  0.463  1.0
  Cl  Cl10  1  0.750  0.859  0.963  1.0
  Cl  Cl11  1  0.250  0.141  0.037  1.0
[/CIF]
.
The structure described by CaCl2 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to two equivalent Cl(1) and three equivalent Cl(2) atoms to form a mixture of distorted corner and edge-sharing CaCl5 trigonal bipyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ca(1) atoms. In the second Cl site, Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_CaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   7.625
_cell_length_c   11.578
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   453.865
_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  0.250  0.360  0.619  1.0
  Ca  Ca1  1  0.250  0.860  0.881  1.0
  Ca  Ca2  1  0.750  0.640  0.381  1.0
  Ca  Ca3  1  0.750  0.140  0.119  1.0
  Cl  Cl4  1  0.750  0.473  0.185  1.0
  Cl  Cl5  1  0.250  0.027  0.685  1.0
  Cl  Cl6  1  0.250  0.527  0.815  1.0
  Cl  Cl7  1  0.750  0.973  0.315  1.0
  Cl  Cl8  1  0.750  0.359  0.537  1.0
  Cl  Cl9  1  0.250  0.641  0.463  1.0
  Cl  Cl10  1  0.750  0.859  0.963  1.0
  Cl  Cl11  1  0.250  0.141  0.037  1.0
[/CIF]
.