The crystal structure described by BeCl2 crystallizes in the trigonal P3_221 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms to form corner-sharing BeCl4 tetrahedra. In the second Be site, Be(2) is bonded to two equivalent Cl(1) and two equivalent Cl(2) atoms to form corner-sharing BeCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to one Be(1) and one Be(2) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to two equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_BeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.462
_cell_length_b   11.462
_cell_length_c   8.334
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   948.217
_cell_formula_units_Z   9
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
  Be  Be0  1  0.705  0.261  0.417  1.0
  Be  Be1  1  0.261  0.705  0.366  1.0
  Be  Be2  1  0.557  0.295  0.750  1.0
  Be  Be3  1  0.000  0.411  0.224  1.0
  Be  Be4  1  0.295  0.557  0.033  1.0
  Be  Be5  1  0.739  0.443  0.084  1.0
  Be  Be6  1  0.411  1.000  0.558  1.0
  Be  Be7  1  0.443  0.739  0.699  1.0
  Be  Be8  1  0.589  0.589  0.891  1.0
  Cl  Cl9  1  0.459  0.537  0.079  1.0
  Cl  Cl10  1  0.537  0.459  0.704  1.0
  Cl  Cl11  1  0.380  0.143  0.660  1.0
  Cl  Cl12  1  0.575  0.277  0.989  1.0
  Cl  Cl13  1  0.237  0.857  0.456  1.0
  Cl  Cl14  1  0.425  0.702  0.460  1.0
  Cl  Cl15  1  0.079  0.541  0.412  1.0
  Cl  Cl16  1  0.277  0.575  0.793  1.0
  Cl  Cl17  1  0.463  0.921  0.745  1.0
  Cl  Cl18  1  0.541  0.079  0.370  1.0
  Cl  Cl19  1  0.298  0.723  0.127  1.0
  Cl  Cl20  1  0.857  0.238  0.326  1.0
  Cl  Cl21  1  0.723  0.298  0.656  1.0
  Cl  Cl22  1  0.620  0.763  0.789  1.0
  Cl  Cl23  1  0.702  0.425  0.322  1.0
  Cl  Cl24  1  0.921  0.463  0.037  1.0
  Cl  Cl25  1  0.143  0.380  0.122  1.0
  Cl  Cl26  1  0.762  0.620  0.993  1.0
[/CIF]
.
The crystal structure described by BeCl2 crystallizes in the trigonal P3_221 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms to form corner-sharing BeCl4 tetrahedra. In the second Be site, Be(2) is bonded to two equivalent Cl(1) and two equivalent Cl(2) atoms to form corner-sharing BeCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to one Be(1) and one Be(2) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to two equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_BeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.462
_cell_length_b   11.462
_cell_length_c   8.334
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   948.217
_cell_formula_units_Z   9
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
  Be  Be0  1  0.705  0.261  0.417  1.0
  Be  Be1  1  0.261  0.705  0.366  1.0
  Be  Be2  1  0.557  0.295  0.750  1.0
  Be  Be3  1  0.000  0.411  0.224  1.0
  Be  Be4  1  0.295  0.557  0.033  1.0
  Be  Be5  1  0.739  0.443  0.084  1.0
  Be  Be6  1  0.411  1.000  0.558  1.0
  Be  Be7  1  0.443  0.739  0.699  1.0
  Be  Be8  1  0.589  0.589  0.891  1.0
  Cl  Cl9  1  0.459  0.537  0.079  1.0
  Cl  Cl10  1  0.537  0.459  0.704  1.0
  Cl  Cl11  1  0.380  0.143  0.660  1.0
  Cl  Cl12  1  0.575  0.277  0.989  1.0
  Cl  Cl13  1  0.237  0.857  0.456  1.0
  Cl  Cl14  1  0.425  0.702  0.460  1.0
  Cl  Cl15  1  0.079  0.541  0.412  1.0
  Cl  Cl16  1  0.277  0.575  0.793  1.0
  Cl  Cl17  1  0.463  0.921  0.745  1.0
  Cl  Cl18  1  0.541  0.079  0.370  1.0
  Cl  Cl19  1  0.298  0.723  0.127  1.0
  Cl  Cl20  1  0.857  0.238  0.326  1.0
  Cl  Cl21  1  0.723  0.298  0.656  1.0
  Cl  Cl22  1  0.620  0.763  0.789  1.0
  Cl  Cl23  1  0.702  0.425  0.322  1.0
  Cl  Cl24  1  0.921  0.463  0.037  1.0
  Cl  Cl25  1  0.143  0.380  0.122  1.0
  Cl  Cl26  1  0.762  0.620  0.993  1.0
[/CIF]
.