The material structure described by Cs2VS5O crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 2-coordinate geometry to one S(3) and two equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one S(1), one S(2), two equivalent S(3), two equivalent S(4), two equivalent S(5), and one O(1) atom. V(1) is bonded in a distorted single-bond geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one O(1) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to one Cs(2) and one V(1) atom. In the second S site, S(2) is bonded in a 1-coordinate geometry to one Cs(2) and one V(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Cs(2), one V(1), and one S(5) atom. In the fourth S site, S(4) is bonded in a 1-coordinate geometry to two equivalent Cs(2) and one V(1) atom. In the fifth S site, S(5) is bonded in a distorted single-bond geometry to two equivalent Cs(2), one V(1), and one S(3) atom. O(1) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2VS5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.673
_cell_length_b   7.653
_cell_length_c   14.167
_cell_angle_alpha   69.254
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1082.120
_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  0.972  0.504  0.238  1.0
  Cs  Cs1  1  0.528  0.504  0.738  1.0
  Cs  Cs2  1  0.028  0.496  0.762  1.0
  Cs  Cs3  1  0.472  0.496  0.262  1.0
  Cs  Cs4  1  0.262  0.033  0.579  1.0
  Cs  Cs5  1  0.238  0.033  0.079  1.0
  Cs  Cs6  1  0.738  0.967  0.421  1.0
  Cs  Cs7  1  0.762  0.967  0.921  1.0
  V  V8  1  0.696  0.245  0.118  1.0
  V  V9  1  0.804  0.245  0.618  1.0
  V  V10  1  0.304  0.755  0.882  1.0
  V  V11  1  0.196  0.755  0.382  1.0
  S  S12  1  0.004  0.358  0.548  1.0
  S  S13  1  0.496  0.358  0.048  1.0
  S  S14  1  0.996  0.642  0.452  1.0
  S  S15  1  0.504  0.642  0.952  1.0
  S  S16  1  0.225  0.545  0.035  1.0
  S  S17  1  0.275  0.545  0.535  1.0
  S  S18  1  0.775  0.455  0.965  1.0
  S  S19  1  0.725  0.455  0.465  1.0
  S  S20  1  0.054  0.010  0.296  1.0
  S  S21  1  0.446  0.010  0.796  1.0
  S  S22  1  0.946  0.990  0.704  1.0
  S  S23  1  0.554  0.990  0.204  1.0
  S  S24  1  0.096  0.739  0.949  1.0
  S  S25  1  0.404  0.739  0.449  1.0
  S  S26  1  0.904  0.261  0.051  1.0
  S  S27  1  0.596  0.261  0.551  1.0
  S  S28  1  0.238  0.075  0.316  1.0
  S  S29  1  0.262  0.075  0.816  1.0
  S  S30  1  0.762  0.925  0.684  1.0
  S  S31  1  0.738  0.925  0.184  1.0
  O  O32  1  0.720  0.332  0.209  1.0
  O  O33  1  0.780  0.332  0.709  1.0
  O  O34  1  0.280  0.668  0.791  1.0
  O  O35  1  0.220  0.668  0.291  1.0
[/CIF]
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The material structure described by Cs2VS5O crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 2-coordinate geometry to one S(3) and two equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one S(1), one S(2), two equivalent S(3), two equivalent S(4), two equivalent S(5), and one O(1) atom. V(1) is bonded in a distorted single-bond geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one O(1) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to one Cs(2) and one V(1) atom. In the second S site, S(2) is bonded in a 1-coordinate geometry to one Cs(2) and one V(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Cs(2), one V(1), and one S(5) atom. In the fourth S site, S(4) is bonded in a 1-coordinate geometry to two equivalent Cs(2) and one V(1) atom. In the fifth S site, S(5) is bonded in a distorted single-bond geometry to two equivalent Cs(2), one V(1), and one S(3) atom. O(1) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2VS5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.673
_cell_length_b   7.653
_cell_length_c   14.167
_cell_angle_alpha   69.254
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1082.120
_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  0.972  0.504  0.238  1.0
  Cs  Cs1  1  0.528  0.504  0.738  1.0
  Cs  Cs2  1  0.028  0.496  0.762  1.0
  Cs  Cs3  1  0.472  0.496  0.262  1.0
  Cs  Cs4  1  0.262  0.033  0.579  1.0
  Cs  Cs5  1  0.238  0.033  0.079  1.0
  Cs  Cs6  1  0.738  0.967  0.421  1.0
  Cs  Cs7  1  0.762  0.967  0.921  1.0
  V  V8  1  0.696  0.245  0.118  1.0
  V  V9  1  0.804  0.245  0.618  1.0
  V  V10  1  0.304  0.755  0.882  1.0
  V  V11  1  0.196  0.755  0.382  1.0
  S  S12  1  0.004  0.358  0.548  1.0
  S  S13  1  0.496  0.358  0.048  1.0
  S  S14  1  0.996  0.642  0.452  1.0
  S  S15  1  0.504  0.642  0.952  1.0
  S  S16  1  0.225  0.545  0.035  1.0
  S  S17  1  0.275  0.545  0.535  1.0
  S  S18  1  0.775  0.455  0.965  1.0
  S  S19  1  0.725  0.455  0.465  1.0
  S  S20  1  0.054  0.010  0.296  1.0
  S  S21  1  0.446  0.010  0.796  1.0
  S  S22  1  0.946  0.990  0.704  1.0
  S  S23  1  0.554  0.990  0.204  1.0
  S  S24  1  0.096  0.739  0.949  1.0
  S  S25  1  0.404  0.739  0.449  1.0
  S  S26  1  0.904  0.261  0.051  1.0
  S  S27  1  0.596  0.261  0.551  1.0
  S  S28  1  0.238  0.075  0.316  1.0
  S  S29  1  0.262  0.075  0.816  1.0
  S  S30  1  0.762  0.925  0.684  1.0
  S  S31  1  0.738  0.925  0.184  1.0
  O  O32  1  0.720  0.332  0.209  1.0
  O  O33  1  0.780  0.332  0.709  1.0
  O  O34  1  0.280  0.668  0.791  1.0
  O  O35  1  0.220  0.668  0.291  1.0
[/CIF]
.