The compound described by Cs2BeCl4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to two equivalent Cl(1), three equivalent Cl(2), and six equivalent Cl(3) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to two equivalent Cl(2), three equivalent Cl(1), and four equivalent Cl(3) atoms. Be(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one Be(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one Be(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2BeCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.204
_cell_length_b   9.709
_cell_length_c   12.527
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   876.085
_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
  Cs  Cs0  1  0.250  0.149  0.602  1.0
  Cs  Cs1  1  0.250  0.649  0.898  1.0
  Cs  Cs2  1  0.750  0.851  0.398  1.0
  Cs  Cs3  1  0.750  0.351  0.102  1.0
  Cs  Cs4  1  0.250  0.476  0.324  1.0
  Cs  Cs5  1  0.250  0.976  0.176  1.0
  Cs  Cs6  1  0.750  0.524  0.676  1.0
  Cs  Cs7  1  0.750  0.024  0.824  1.0
  Be  Be8  1  0.250  0.242  0.919  1.0
  Be  Be9  1  0.250  0.742  0.581  1.0
  Be  Be10  1  0.750  0.758  0.081  1.0
  Be  Be11  1  0.750  0.258  0.419  1.0
  Cl  Cl12  1  0.250  0.534  0.600  1.0
  Cl  Cl13  1  0.250  0.034  0.900  1.0
  Cl  Cl14  1  0.750  0.466  0.400  1.0
  Cl  Cl15  1  0.750  0.966  0.100  1.0
  Cl  Cl16  1  0.250  0.304  0.074  1.0
  Cl  Cl17  1  0.250  0.804  0.426  1.0
  Cl  Cl18  1  0.750  0.696  0.926  1.0
  Cl  Cl19  1  0.750  0.196  0.574  1.0
  Cl  Cl20  1  0.981  0.678  0.152  1.0
  Cl  Cl21  1  0.519  0.178  0.348  1.0
  Cl  Cl22  1  0.481  0.322  0.848  1.0
  Cl  Cl23  1  0.019  0.822  0.652  1.0
  Cl  Cl24  1  0.019  0.322  0.848  1.0
  Cl  Cl25  1  0.481  0.822  0.652  1.0
  Cl  Cl26  1  0.519  0.678  0.152  1.0
  Cl  Cl27  1  0.981  0.178  0.348  1.0
[/CIF]
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The compound described by Cs2BeCl4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to two equivalent Cl(1), three equivalent Cl(2), and six equivalent Cl(3) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to two equivalent Cl(2), three equivalent Cl(1), and four equivalent Cl(3) atoms. Be(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one Be(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one Be(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2BeCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.204
_cell_length_b   9.709
_cell_length_c   12.527
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   876.085
_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
  Cs  Cs0  1  0.250  0.149  0.602  1.0
  Cs  Cs1  1  0.250  0.649  0.898  1.0
  Cs  Cs2  1  0.750  0.851  0.398  1.0
  Cs  Cs3  1  0.750  0.351  0.102  1.0
  Cs  Cs4  1  0.250  0.476  0.324  1.0
  Cs  Cs5  1  0.250  0.976  0.176  1.0
  Cs  Cs6  1  0.750  0.524  0.676  1.0
  Cs  Cs7  1  0.750  0.024  0.824  1.0
  Be  Be8  1  0.250  0.242  0.919  1.0
  Be  Be9  1  0.250  0.742  0.581  1.0
  Be  Be10  1  0.750  0.758  0.081  1.0
  Be  Be11  1  0.750  0.258  0.419  1.0
  Cl  Cl12  1  0.250  0.534  0.600  1.0
  Cl  Cl13  1  0.250  0.034  0.900  1.0
  Cl  Cl14  1  0.750  0.466  0.400  1.0
  Cl  Cl15  1  0.750  0.966  0.100  1.0
  Cl  Cl16  1  0.250  0.304  0.074  1.0
  Cl  Cl17  1  0.250  0.804  0.426  1.0
  Cl  Cl18  1  0.750  0.696  0.926  1.0
  Cl  Cl19  1  0.750  0.196  0.574  1.0
  Cl  Cl20  1  0.981  0.678  0.152  1.0
  Cl  Cl21  1  0.519  0.178  0.348  1.0
  Cl  Cl22  1  0.481  0.322  0.848  1.0
  Cl  Cl23  1  0.019  0.822  0.652  1.0
  Cl  Cl24  1  0.019  0.322  0.848  1.0
  Cl  Cl25  1  0.481  0.822  0.652  1.0
  Cl  Cl26  1  0.519  0.678  0.152  1.0
  Cl  Cl27  1  0.981  0.178  0.348  1.0
[/CIF]
.