The compound described by Cs3V(O2Cl3)2 crystallizes in the orthorhombic Immm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a distorted body-centered cubic geometry to two equivalent Cl(2) and six equivalent Cl(1) atoms. V(1) is bonded in an octahedral geometry to four equivalent O(1) and two equivalent Cl(2) atoms. O(1) is bonded in a single-bond geometry to one V(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a see-saw-like geometry to one Cs(1) and three equivalent Cs(2) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one V(1) atom. is represented by the CIF file [CIF]
data_Cs3V(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.293
_cell_length_b   10.293
_cell_length_c   10.293
_cell_angle_alpha   145.939
_cell_angle_beta   133.871
_cell_angle_gamma   58.569
_symmetry_Int_Tables_number   1
_cell_volume   436.527
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  Cs  Cs1  1  0.690  0.690  0.000  1.0
  Cs  Cs2  1  0.310  0.310  0.000  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  Cl  Cl4  1  0.595  0.846  0.749  1.0
  Cl  Cl5  1  0.903  0.154  0.749  1.0
  Cl  Cl6  1  0.097  0.846  0.251  1.0
  Cl  Cl7  1  0.405  0.154  0.251  1.0
  Cl  Cl8  1  0.298  0.500  0.798  1.0
  Cl  Cl9  1  0.702  0.500  0.202  1.0
  O  O10  1  0.070  0.791  0.721  1.0
  O  O11  1  0.930  0.209  0.279  1.0
  O  O12  1  0.070  0.349  0.279  1.0
  O  O13  1  0.930  0.651  0.721  1.0
[/CIF]
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The compound described by Cs3V(O2Cl3)2 crystallizes in the orthorhombic Immm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a distorted body-centered cubic geometry to two equivalent Cl(2) and six equivalent Cl(1) atoms. V(1) is bonded in an octahedral geometry to four equivalent O(1) and two equivalent Cl(2) atoms. O(1) is bonded in a single-bond geometry to one V(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a see-saw-like geometry to one Cs(1) and three equivalent Cs(2) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one V(1) atom. is represented by the CIF file [CIF]
data_Cs3V(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.293
_cell_length_b   10.293
_cell_length_c   10.293
_cell_angle_alpha   145.939
_cell_angle_beta   133.871
_cell_angle_gamma   58.569
_symmetry_Int_Tables_number   1
_cell_volume   436.527
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  Cs  Cs1  1  0.690  0.690  0.000  1.0
  Cs  Cs2  1  0.310  0.310  0.000  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  Cl  Cl4  1  0.595  0.846  0.749  1.0
  Cl  Cl5  1  0.903  0.154  0.749  1.0
  Cl  Cl6  1  0.097  0.846  0.251  1.0
  Cl  Cl7  1  0.405  0.154  0.251  1.0
  Cl  Cl8  1  0.298  0.500  0.798  1.0
  Cl  Cl9  1  0.702  0.500  0.202  1.0
  O  O10  1  0.070  0.791  0.721  1.0
  O  O11  1  0.930  0.209  0.279  1.0
  O  O12  1  0.070  0.349  0.279  1.0
  O  O13  1  0.930  0.651  0.721  1.0
[/CIF]
.