The compound described by BeI2 crystallizes in the monoclinic C2/c space group. The structure consists of a BeI2 framework. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded to one I(1), one I(3), one I(5), and one I(7) atom to form corner-sharing BeI4 tetrahedra. In the second Be site, Be(2) is bonded to one I(1), one I(2), one I(6), and one I(8) atom to form corner-sharing BeI4 tetrahedra. In the third Be site, Be(3) is bonded to one I(3), one I(4), one I(6), and one I(7) atom to form corner-sharing BeI4 tetrahedra. In the fourth Be site, Be(4) is bonded to one I(2), one I(4), one I(5), and one I(8) atom to form corner-sharing BeI4 tetrahedra. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Be(1) and one Be(2) atom. In the second I site, I(3) is bonded in a water-like geometry to one Be(1) and one Be(3) atom. In the third I site, I(2) is bonded in a water-like geometry to one Be(2) and one Be(4) atom. In the fourth I site, I(4) is bonded in a water-like geometry to one Be(3) and one Be(4) atom. In the fifth I site, I(5) is bonded in a water-like geometry to one Be(1) and one Be(4) atom. In the sixth I site, I(6) is bonded in a water-like geometry to one Be(2) and one Be(3) atom. In the seventh I site, I(7) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(3) atom. In the eighth I site, I(8) is bonded in a bent 120 degrees geometry to one Be(2) and one Be(4) atom. is represented by the CIF card [CIF]
data_BeI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.683
_cell_length_b   12.685
_cell_length_c   13.891
_cell_angle_alpha   117.132
_cell_angle_beta   117.161
_cell_angle_gamma   90.021
_symmetry_Int_Tables_number   1
_cell_volume   1707.249
_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  0.602  0.563  0.378  1.0
  Be  Be1  1  0.315  0.602  0.878  1.0
  Be  Be2  1  0.563  0.776  0.877  1.0
  Be  Be3  1  0.724  0.937  0.623  1.0
  Be  Be4  1  0.898  0.185  0.622  1.0
  Be  Be5  1  0.185  0.723  0.122  1.0
  Be  Be6  1  0.937  0.898  0.122  1.0
  Be  Be7  1  0.777  0.315  0.378  1.0
  Be  Be8  1  0.398  0.437  0.622  1.0
  Be  Be9  1  0.685  0.398  0.122  1.0
  Be  Be10  1  0.437  0.224  0.123  1.0
  Be  Be11  1  0.276  0.063  0.377  1.0
  Be  Be12  1  0.102  0.815  0.378  1.0
  Be  Be13  1  0.815  0.277  0.878  1.0
  Be  Be14  1  0.063  0.102  0.878  1.0
  Be  Be15  1  0.223  0.685  0.622  1.0
  I  I16  1  0.660  0.595  0.248  1.0
  I  I17  1  0.154  0.660  0.749  1.0
  I  I18  1  0.595  0.588  0.749  1.0
  I  I19  1  0.912  0.905  0.752  1.0
  I  I20  1  0.840  0.346  0.751  1.0
  I  I21  1  0.346  0.911  0.251  1.0
  I  I22  1  0.905  0.840  0.252  1.0
  I  I23  1  0.589  0.154  0.250  1.0
  I  I24  1  0.340  0.405  0.752  1.0
  I  I25  1  0.846  0.340  0.251  1.0
  I  I26  1  0.405  0.412  0.251  1.0
  I  I27  1  0.088  0.095  0.248  1.0
  I  I28  1  0.160  0.654  0.249  1.0
  I  I29  1  0.654  0.089  0.749  1.0
  I  I30  1  0.095  0.160  0.748  1.0
  I  I31  1  0.411  0.846  0.750  1.0
  I  I32  1  0.759  0.509  0.517  1.0
  I  I33  1  0.509  0.759  0.017  1.0
  I  I34  1  0.741  0.991  0.483  1.0
  I  I35  1  0.991  0.741  0.983  1.0
  I  I36  1  0.241  0.491  0.483  1.0
  I  I37  1  0.491  0.241  0.983  1.0
  I  I38  1  0.259  0.009  0.517  1.0
  I  I39  1  0.009  0.259  0.017  1.0
  I  I40  1  0.560  0.750  0.500  1.0
  I  I41  1  0.250  0.560  0.000  1.0
  I  I42  1  0.750  0.940  1.000  1.0
  I  I43  1  0.941  0.250  0.500  1.0
  I  I44  1  0.440  0.250  0.500  1.0
  I  I45  1  0.750  0.440  1.000  1.0
  I  I46  1  0.250  0.060  0.000  1.0
  I  I47  1  0.059  0.750  0.500  1.0
[/CIF]
.
The compound described by BeI2 crystallizes in the monoclinic C2/c space group. The structure consists of a BeI2 framework. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded to one I(1), one I(3), one I(5), and one I(7) atom to form corner-sharing BeI4 tetrahedra. In the second Be site, Be(2) is bonded to one I(1), one I(2), one I(6), and one I(8) atom to form corner-sharing BeI4 tetrahedra. In the third Be site, Be(3) is bonded to one I(3), one I(4), one I(6), and one I(7) atom to form corner-sharing BeI4 tetrahedra. In the fourth Be site, Be(4) is bonded to one I(2), one I(4), one I(5), and one I(8) atom to form corner-sharing BeI4 tetrahedra. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Be(1) and one Be(2) atom. In the second I site, I(3) is bonded in a water-like geometry to one Be(1) and one Be(3) atom. In the third I site, I(2) is bonded in a water-like geometry to one Be(2) and one Be(4) atom. In the fourth I site, I(4) is bonded in a water-like geometry to one Be(3) and one Be(4) atom. In the fifth I site, I(5) is bonded in a water-like geometry to one Be(1) and one Be(4) atom. In the sixth I site, I(6) is bonded in a water-like geometry to one Be(2) and one Be(3) atom. In the seventh I site, I(7) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(3) atom. In the eighth I site, I(8) is bonded in a bent 120 degrees geometry to one Be(2) and one Be(4) atom. is represented by the CIF card [CIF]
data_BeI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.683
_cell_length_b   12.685
_cell_length_c   13.891
_cell_angle_alpha   117.132
_cell_angle_beta   117.161
_cell_angle_gamma   90.021
_symmetry_Int_Tables_number   1
_cell_volume   1707.249
_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  0.602  0.563  0.378  1.0
  Be  Be1  1  0.315  0.602  0.878  1.0
  Be  Be2  1  0.563  0.776  0.877  1.0
  Be  Be3  1  0.724  0.937  0.623  1.0
  Be  Be4  1  0.898  0.185  0.622  1.0
  Be  Be5  1  0.185  0.723  0.122  1.0
  Be  Be6  1  0.937  0.898  0.122  1.0
  Be  Be7  1  0.777  0.315  0.378  1.0
  Be  Be8  1  0.398  0.437  0.622  1.0
  Be  Be9  1  0.685  0.398  0.122  1.0
  Be  Be10  1  0.437  0.224  0.123  1.0
  Be  Be11  1  0.276  0.063  0.377  1.0
  Be  Be12  1  0.102  0.815  0.378  1.0
  Be  Be13  1  0.815  0.277  0.878  1.0
  Be  Be14  1  0.063  0.102  0.878  1.0
  Be  Be15  1  0.223  0.685  0.622  1.0
  I  I16  1  0.660  0.595  0.248  1.0
  I  I17  1  0.154  0.660  0.749  1.0
  I  I18  1  0.595  0.588  0.749  1.0
  I  I19  1  0.912  0.905  0.752  1.0
  I  I20  1  0.840  0.346  0.751  1.0
  I  I21  1  0.346  0.911  0.251  1.0
  I  I22  1  0.905  0.840  0.252  1.0
  I  I23  1  0.589  0.154  0.250  1.0
  I  I24  1  0.340  0.405  0.752  1.0
  I  I25  1  0.846  0.340  0.251  1.0
  I  I26  1  0.405  0.412  0.251  1.0
  I  I27  1  0.088  0.095  0.248  1.0
  I  I28  1  0.160  0.654  0.249  1.0
  I  I29  1  0.654  0.089  0.749  1.0
  I  I30  1  0.095  0.160  0.748  1.0
  I  I31  1  0.411  0.846  0.750  1.0
  I  I32  1  0.759  0.509  0.517  1.0
  I  I33  1  0.509  0.759  0.017  1.0
  I  I34  1  0.741  0.991  0.483  1.0
  I  I35  1  0.991  0.741  0.983  1.0
  I  I36  1  0.241  0.491  0.483  1.0
  I  I37  1  0.491  0.241  0.983  1.0
  I  I38  1  0.259  0.009  0.517  1.0
  I  I39  1  0.009  0.259  0.017  1.0
  I  I40  1  0.560  0.750  0.500  1.0
  I  I41  1  0.250  0.560  0.000  1.0
  I  I42  1  0.750  0.940  1.000  1.0
  I  I43  1  0.941  0.250  0.500  1.0
  I  I44  1  0.440  0.250  0.500  1.0
  I  I45  1  0.750  0.440  1.000  1.0
  I  I46  1  0.250  0.060  0.000  1.0
  I  I47  1  0.059  0.750  0.500  1.0
[/CIF]
.