The material described by Cs2VO4Cl5 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 8-coordinate geometry to one Cl(3), three equivalent Cl(1), and four equivalent Cl(2) atoms. V(1) is bonded in an octahedral geometry to four equivalent O(1) and two equivalent Cl(1) atoms. O(1) is bonded in a single-bond geometry to one V(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one V(1) atom. In the second Cl site, Cl(2) is bonded in a see-saw-like geometry to four equivalent Cs(1) atoms. In the third Cl site, Cl(3) is bonded in a linear geometry to two equivalent Cs(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2VCl5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   6.990
_cell_length_c   9.074
_cell_angle_alpha   106.410
_cell_angle_beta   108.256
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   326.924
_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  0.700  0.727  0.400  1.0
  Cs  Cs1  1  0.300  0.273  0.600  1.0
  V  V2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.891  0.140  0.782  1.0
  Cl  Cl4  1  0.109  0.860  0.218  1.0
  Cl  Cl5  1  0.673  0.216  0.346  1.0
  Cl  Cl6  1  0.327  0.784  0.654  1.0
  Cl  Cl7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.737  0.803  0.898  1.0
  O  O9  1  0.161  0.803  0.898  1.0
  O  O10  1  0.263  0.197  0.102  1.0
  O  O11  1  0.839  0.197  0.102  1.0
[/CIF]
.
The material described by Cs2VO4Cl5 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 8-coordinate geometry to one Cl(3), three equivalent Cl(1), and four equivalent Cl(2) atoms. V(1) is bonded in an octahedral geometry to four equivalent O(1) and two equivalent Cl(1) atoms. O(1) is bonded in a single-bond geometry to one V(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one V(1) atom. In the second Cl site, Cl(2) is bonded in a see-saw-like geometry to four equivalent Cs(1) atoms. In the third Cl site, Cl(3) is bonded in a linear geometry to two equivalent Cs(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2VCl5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   6.990
_cell_length_c   9.074
_cell_angle_alpha   106.410
_cell_angle_beta   108.256
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   326.924
_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  0.700  0.727  0.400  1.0
  Cs  Cs1  1  0.300  0.273  0.600  1.0
  V  V2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.891  0.140  0.782  1.0
  Cl  Cl4  1  0.109  0.860  0.218  1.0
  Cl  Cl5  1  0.673  0.216  0.346  1.0
  Cl  Cl6  1  0.327  0.784  0.654  1.0
  Cl  Cl7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.737  0.803  0.898  1.0
  O  O9  1  0.161  0.803  0.898  1.0
  O  O10  1  0.263  0.197  0.102  1.0
  O  O11  1  0.839  0.197  0.102  1.0
[/CIF]
.