The crystal structure described by Cs3VH8(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 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. H(1) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. O(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent H(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to one Cs(1), three equivalent Cs(2), and two equivalent H(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one V(1) atom. is represented by the CIF file [CIF]
data_Cs3VH8(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.353
_cell_length_b   10.353
_cell_length_c   10.353
_cell_angle_alpha   145.635
_cell_angle_beta   131.796
_cell_angle_gamma   60.532
_symmetry_Int_Tables_number   1
_cell_volume   462.492
_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  0.000  0.000  0.000  1.0
  Cs  Cs1  1  0.813  0.313  0.500  1.0
  Cs  Cs2  1  0.187  0.687  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  H  H4  1  0.506  0.303  0.602  1.0
  H  H5  1  0.494  0.096  0.797  1.0
  H  H6  1  0.300  0.697  0.203  1.0
  H  H7  1  0.700  0.904  0.398  1.0
  H  H8  1  0.700  0.303  0.797  1.0
  H  H9  1  0.300  0.096  0.602  1.0
  H  H10  1  0.494  0.697  0.398  1.0
  H  H11  1  0.506  0.904  0.203  1.0
  Cl  Cl12  1  0.086  0.843  0.243  1.0
  Cl  Cl13  1  0.914  0.157  0.757  1.0
  Cl  Cl14  1  0.400  0.157  0.243  1.0
  Cl  Cl15  1  0.600  0.843  0.757  1.0
  Cl  Cl16  1  0.215  0.500  0.715  1.0
  Cl  Cl17  1  0.785  0.500  0.285  1.0
  O  O18  1  0.581  0.348  0.767  1.0
  O  O19  1  0.419  0.186  0.767  1.0
  O  O20  1  0.419  0.652  0.233  1.0
  O  O21  1  0.581  0.814  0.233  1.0
[/CIF]
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The crystal structure described by Cs3VH8(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 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. H(1) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. O(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent H(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to one Cs(1), three equivalent Cs(2), and two equivalent H(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one V(1) atom. is represented by the CIF file [CIF]
data_Cs3VH8(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.353
_cell_length_b   10.353
_cell_length_c   10.353
_cell_angle_alpha   145.635
_cell_angle_beta   131.796
_cell_angle_gamma   60.532
_symmetry_Int_Tables_number   1
_cell_volume   462.492
_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  0.000  0.000  0.000  1.0
  Cs  Cs1  1  0.813  0.313  0.500  1.0
  Cs  Cs2  1  0.187  0.687  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  H  H4  1  0.506  0.303  0.602  1.0
  H  H5  1  0.494  0.096  0.797  1.0
  H  H6  1  0.300  0.697  0.203  1.0
  H  H7  1  0.700  0.904  0.398  1.0
  H  H8  1  0.700  0.303  0.797  1.0
  H  H9  1  0.300  0.096  0.602  1.0
  H  H10  1  0.494  0.697  0.398  1.0
  H  H11  1  0.506  0.904  0.203  1.0
  Cl  Cl12  1  0.086  0.843  0.243  1.0
  Cl  Cl13  1  0.914  0.157  0.757  1.0
  Cl  Cl14  1  0.400  0.157  0.243  1.0
  Cl  Cl15  1  0.600  0.843  0.757  1.0
  Cl  Cl16  1  0.215  0.500  0.715  1.0
  Cl  Cl17  1  0.785  0.500  0.285  1.0
  O  O18  1  0.581  0.348  0.767  1.0
  O  O19  1  0.419  0.186  0.767  1.0
  O  O20  1  0.419  0.652  0.233  1.0
  O  O21  1  0.581  0.814  0.233  1.0
[/CIF]
.