The crystal structure described by Li2BeCl4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one Cl(1), one Cl(2), and four equivalent Cl(3) atoms to form LiCl6 octahedra that share corners with four equivalent Li(1)Cl6 octahedra, corners with four equivalent Li(2)Cl6 octahedra, corners with four equivalent Be(1)Cl4 tetrahedra, edges with two equivalent Li(2)Cl6 octahedra, and  an edgeedge with one Be(1)Cl4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Li site, Li(2) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form LiCl6 octahedra that share corners with four equivalent Li(1)Cl6 octahedra, corners with two equivalent Be(1)Cl4 tetrahedra, edges with two equivalent Li(1)Cl6 octahedra, edges with two equivalent Li(2)Cl6 octahedra, and edges with two equivalent Be(1)Cl4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. Be(1) is bonded to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms to form BeCl4 tetrahedra that share corners with two equivalent Li(2)Cl6 octahedra, corners with four equivalent Li(1)Cl6 octahedra,  an edgeedge with one Li(1)Cl6 octahedra, and edges with two equivalent Li(2)Cl6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Be(1) atom. In the second Cl site, Cl(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Be(1) atom. In the third Cl site, Cl(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2BeCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.770
_cell_length_b   7.261
_cell_length_c   12.442
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.325
_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
  Li  Li0  1  0.002  0.750  0.732  1.0
  Li  Li1  1  0.998  0.250  0.268  1.0
  Li  Li2  1  0.502  0.250  0.768  1.0
  Li  Li3  1  0.498  0.750  0.232  1.0
  Li  Li4  1  0.500  0.500  0.500  1.0
  Li  Li5  1  0.000  0.500  0.000  1.0
  Li  Li6  1  0.500  0.000  0.500  1.0
  Li  Li7  1  0.000  0.000  0.000  1.0
  Be  Be8  1  0.601  0.750  0.911  1.0
  Be  Be9  1  0.399  0.250  0.089  1.0
  Be  Be10  1  0.101  0.250  0.589  1.0
  Be  Be11  1  0.899  0.750  0.411  1.0
  Cl  Cl12  1  0.254  0.750  0.910  1.0
  Cl  Cl13  1  0.746  0.250  0.090  1.0
  Cl  Cl14  1  0.754  0.250  0.590  1.0
  Cl  Cl15  1  0.246  0.750  0.410  1.0
  Cl  Cl16  1  0.760  0.750  0.563  1.0
  Cl  Cl17  1  0.240  0.250  0.437  1.0
  Cl  Cl18  1  0.260  0.250  0.937  1.0
  Cl  Cl19  1  0.740  0.750  0.063  1.0
  Cl  Cl20  1  0.741  0.526  0.836  1.0
  Cl  Cl21  1  0.259  0.474  0.164  1.0
  Cl  Cl22  1  0.241  0.474  0.664  1.0
  Cl  Cl23  1  0.259  0.026  0.164  1.0
  Cl  Cl24  1  0.759  0.526  0.336  1.0
  Cl  Cl25  1  0.741  0.974  0.836  1.0
  Cl  Cl26  1  0.759  0.974  0.336  1.0
  Cl  Cl27  1  0.241  0.026  0.664  1.0
[/CIF]
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The crystal structure described by Li2BeCl4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one Cl(1), one Cl(2), and four equivalent Cl(3) atoms to form LiCl6 octahedra that share corners with four equivalent Li(1)Cl6 octahedra, corners with four equivalent Li(2)Cl6 octahedra, corners with four equivalent Be(1)Cl4 tetrahedra, edges with two equivalent Li(2)Cl6 octahedra, and  an edgeedge with one Be(1)Cl4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Li site, Li(2) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form LiCl6 octahedra that share corners with four equivalent Li(1)Cl6 octahedra, corners with two equivalent Be(1)Cl4 tetrahedra, edges with two equivalent Li(1)Cl6 octahedra, edges with two equivalent Li(2)Cl6 octahedra, and edges with two equivalent Be(1)Cl4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. Be(1) is bonded to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms to form BeCl4 tetrahedra that share corners with two equivalent Li(2)Cl6 octahedra, corners with four equivalent Li(1)Cl6 octahedra,  an edgeedge with one Li(1)Cl6 octahedra, and edges with two equivalent Li(2)Cl6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Be(1) atom. In the second Cl site, Cl(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Be(1) atom. In the third Cl site, Cl(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2BeCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.770
_cell_length_b   7.261
_cell_length_c   12.442
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.325
_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
  Li  Li0  1  0.002  0.750  0.732  1.0
  Li  Li1  1  0.998  0.250  0.268  1.0
  Li  Li2  1  0.502  0.250  0.768  1.0
  Li  Li3  1  0.498  0.750  0.232  1.0
  Li  Li4  1  0.500  0.500  0.500  1.0
  Li  Li5  1  0.000  0.500  0.000  1.0
  Li  Li6  1  0.500  0.000  0.500  1.0
  Li  Li7  1  0.000  0.000  0.000  1.0
  Be  Be8  1  0.601  0.750  0.911  1.0
  Be  Be9  1  0.399  0.250  0.089  1.0
  Be  Be10  1  0.101  0.250  0.589  1.0
  Be  Be11  1  0.899  0.750  0.411  1.0
  Cl  Cl12  1  0.254  0.750  0.910  1.0
  Cl  Cl13  1  0.746  0.250  0.090  1.0
  Cl  Cl14  1  0.754  0.250  0.590  1.0
  Cl  Cl15  1  0.246  0.750  0.410  1.0
  Cl  Cl16  1  0.760  0.750  0.563  1.0
  Cl  Cl17  1  0.240  0.250  0.437  1.0
  Cl  Cl18  1  0.260  0.250  0.937  1.0
  Cl  Cl19  1  0.740  0.750  0.063  1.0
  Cl  Cl20  1  0.741  0.526  0.836  1.0
  Cl  Cl21  1  0.259  0.474  0.164  1.0
  Cl  Cl22  1  0.241  0.474  0.664  1.0
  Cl  Cl23  1  0.259  0.026  0.164  1.0
  Cl  Cl24  1  0.759  0.526  0.336  1.0
  Cl  Cl25  1  0.741  0.974  0.836  1.0
  Cl  Cl26  1  0.759  0.974  0.336  1.0
  Cl  Cl27  1  0.241  0.026  0.664  1.0
[/CIF]
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