The material described by BeCl2 crystallizes in the tetragonal I4_1/acd space group. The structure consists of a BeCl2 framework. Be(1) is bonded to one Cl(1), one Cl(2), and two equivalent Cl(3) 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 two equivalent Be(1) atoms. In the second Cl site, Cl(3) is bonded in a water-like geometry to two equivalent Be(1) atoms. In the third Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Be(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.996
_cell_length_b   10.996
_cell_length_c   11.871
_cell_angle_alpha   117.590
_cell_angle_beta   117.590
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1084.600
_cell_formula_units_Z   16
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  0.390  0.436  0.621  1.0
  Be  Be1  1  0.231  0.686  0.621  1.0
  Be  Be2  1  0.314  0.610  0.879  1.0
  Be  Be3  1  0.686  0.390  0.121  1.0
  Be  Be4  1  0.936  0.890  0.121  1.0
  Be  Be5  1  0.269  0.064  0.379  1.0
  Be  Be6  1  0.110  0.814  0.379  1.0
  Be  Be7  1  0.890  0.186  0.621  1.0
  Be  Be8  1  0.610  0.564  0.379  1.0
  Be  Be9  1  0.186  0.731  0.121  1.0
  Be  Be10  1  0.564  0.769  0.879  1.0
  Be  Be11  1  0.731  0.936  0.621  1.0
  Be  Be12  1  0.436  0.231  0.121  1.0
  Be  Be13  1  0.769  0.314  0.379  1.0
  Be  Be14  1  0.814  0.269  0.879  1.0
  Be  Be15  1  0.064  0.110  0.879  1.0
  Cl  Cl16  1  0.250  0.577  0.000  1.0
  Cl  Cl17  1  0.750  0.423  0.000  1.0
  Cl  Cl18  1  0.007  0.257  0.014  1.0
  Cl  Cl19  1  0.170  0.665  0.250  1.0
  Cl  Cl20  1  0.585  0.580  0.750  1.0
  Cl  Cl21  1  0.493  0.243  0.986  1.0
  Cl  Cl22  1  0.080  0.085  0.250  1.0
  Cl  Cl23  1  0.580  0.165  0.250  1.0
  Cl  Cl24  1  0.423  0.250  0.500  1.0
  Cl  Cl25  1  0.757  0.507  0.514  1.0
  Cl  Cl26  1  0.330  0.415  0.750  1.0
  Cl  Cl27  1  0.830  0.335  0.750  1.0
  Cl  Cl28  1  0.250  0.077  0.000  1.0
  Cl  Cl29  1  0.243  0.493  0.486  1.0
  Cl  Cl30  1  0.923  0.250  0.500  1.0
  Cl  Cl31  1  0.415  0.420  0.250  1.0
  Cl  Cl32  1  0.993  0.743  0.986  1.0
  Cl  Cl33  1  0.085  0.170  0.750  1.0
  Cl  Cl34  1  0.835  0.330  0.250  1.0
  Cl  Cl35  1  0.420  0.835  0.750  1.0
  Cl  Cl36  1  0.335  0.920  0.250  1.0
  Cl  Cl37  1  0.077  0.750  0.500  1.0
  Cl  Cl38  1  0.750  0.923  0.000  1.0
  Cl  Cl39  1  0.665  0.080  0.750  1.0
  Cl  Cl40  1  0.670  0.585  0.250  1.0
  Cl  Cl41  1  0.165  0.670  0.750  1.0
  Cl  Cl42  1  0.743  0.993  0.486  1.0
  Cl  Cl43  1  0.920  0.915  0.750  1.0
  Cl  Cl44  1  0.915  0.830  0.250  1.0
  Cl  Cl45  1  0.507  0.757  0.014  1.0
  Cl  Cl46  1  0.577  0.750  0.500  1.0
  Cl  Cl47  1  0.257  0.007  0.514  1.0
[/CIF]
.
The material described by BeCl2 crystallizes in the tetragonal I4_1/acd space group. The structure consists of a BeCl2 framework. Be(1) is bonded to one Cl(1), one Cl(2), and two equivalent Cl(3) 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 two equivalent Be(1) atoms. In the second Cl site, Cl(3) is bonded in a water-like geometry to two equivalent Be(1) atoms. In the third Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Be(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.996
_cell_length_b   10.996
_cell_length_c   11.871
_cell_angle_alpha   117.590
_cell_angle_beta   117.590
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1084.600
_cell_formula_units_Z   16
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  0.390  0.436  0.621  1.0
  Be  Be1  1  0.231  0.686  0.621  1.0
  Be  Be2  1  0.314  0.610  0.879  1.0
  Be  Be3  1  0.686  0.390  0.121  1.0
  Be  Be4  1  0.936  0.890  0.121  1.0
  Be  Be5  1  0.269  0.064  0.379  1.0
  Be  Be6  1  0.110  0.814  0.379  1.0
  Be  Be7  1  0.890  0.186  0.621  1.0
  Be  Be8  1  0.610  0.564  0.379  1.0
  Be  Be9  1  0.186  0.731  0.121  1.0
  Be  Be10  1  0.564  0.769  0.879  1.0
  Be  Be11  1  0.731  0.936  0.621  1.0
  Be  Be12  1  0.436  0.231  0.121  1.0
  Be  Be13  1  0.769  0.314  0.379  1.0
  Be  Be14  1  0.814  0.269  0.879  1.0
  Be  Be15  1  0.064  0.110  0.879  1.0
  Cl  Cl16  1  0.250  0.577  0.000  1.0
  Cl  Cl17  1  0.750  0.423  0.000  1.0
  Cl  Cl18  1  0.007  0.257  0.014  1.0
  Cl  Cl19  1  0.170  0.665  0.250  1.0
  Cl  Cl20  1  0.585  0.580  0.750  1.0
  Cl  Cl21  1  0.493  0.243  0.986  1.0
  Cl  Cl22  1  0.080  0.085  0.250  1.0
  Cl  Cl23  1  0.580  0.165  0.250  1.0
  Cl  Cl24  1  0.423  0.250  0.500  1.0
  Cl  Cl25  1  0.757  0.507  0.514  1.0
  Cl  Cl26  1  0.330  0.415  0.750  1.0
  Cl  Cl27  1  0.830  0.335  0.750  1.0
  Cl  Cl28  1  0.250  0.077  0.000  1.0
  Cl  Cl29  1  0.243  0.493  0.486  1.0
  Cl  Cl30  1  0.923  0.250  0.500  1.0
  Cl  Cl31  1  0.415  0.420  0.250  1.0
  Cl  Cl32  1  0.993  0.743  0.986  1.0
  Cl  Cl33  1  0.085  0.170  0.750  1.0
  Cl  Cl34  1  0.835  0.330  0.250  1.0
  Cl  Cl35  1  0.420  0.835  0.750  1.0
  Cl  Cl36  1  0.335  0.920  0.250  1.0
  Cl  Cl37  1  0.077  0.750  0.500  1.0
  Cl  Cl38  1  0.750  0.923  0.000  1.0
  Cl  Cl39  1  0.665  0.080  0.750  1.0
  Cl  Cl40  1  0.670  0.585  0.250  1.0
  Cl  Cl41  1  0.165  0.670  0.750  1.0
  Cl  Cl42  1  0.743  0.993  0.486  1.0
  Cl  Cl43  1  0.920  0.915  0.750  1.0
  Cl  Cl44  1  0.915  0.830  0.250  1.0
  Cl  Cl45  1  0.507  0.757  0.014  1.0
  Cl  Cl46  1  0.577  0.750  0.500  1.0
  Cl  Cl47  1  0.257  0.007  0.514  1.0
[/CIF]
.