The compound described by Cs2V4O9 crystallizes in the tetragonal I-42d space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(3) and eight equivalent O(2) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1) and three equivalent V(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent V(1) atoms. In the third O site, O(2) is bonded in a single-bond geometry to four equivalent Cs(1) and one V(1) atom. is represented by the CIF file [CIF]
data_Cs2V4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.731
_cell_length_b   5.731
_cell_length_c   15.789
_cell_angle_alpha   79.548
_cell_angle_beta   79.547
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   501.146
_cell_formula_units_Z   2
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  0.375  0.855  0.750  1.0
  Cs  Cs1  1  0.875  0.395  0.750  1.0
  Cs  Cs2  1  0.145  0.125  0.250  1.0
  Cs  Cs3  1  0.605  0.625  0.250  1.0
  V  V4  1  0.123  0.689  0.048  1.0
  V  V5  1  0.921  0.561  0.452  1.0
  V  V6  1  0.439  0.373  0.548  1.0
  V  V7  1  0.311  0.171  0.952  1.0
  V  V8  1  0.627  0.986  0.452  1.0
  V  V9  1  0.829  0.264  0.048  1.0
  V  V10  1  0.014  0.079  0.548  1.0
  V  V11  1  0.736  0.877  0.952  1.0
  O  O12  1  0.750  0.250  0.500  1.0
  O  O13  1  1.000  0.000  0.000  1.0
  O  O14  1  0.602  0.092  0.350  1.0
  O  O15  1  0.148  0.692  0.150  1.0
  O  O16  1  0.048  0.558  0.350  1.0
  O  O17  1  0.702  0.158  0.150  1.0
  O  O18  1  0.908  0.952  0.650  1.0
  O  O19  1  0.842  0.852  0.850  1.0
  O  O20  1  0.442  0.398  0.650  1.0
  O  O21  1  0.308  0.298  0.850  1.0
  O  O22  1  0.353  0.052  0.534  1.0
  O  O23  1  0.397  0.836  0.966  1.0
  O  O24  1  0.113  0.414  0.534  1.0
  O  O25  1  0.637  0.198  0.966  1.0
  O  O26  1  0.948  0.887  0.466  1.0
  O  O27  1  0.802  0.603  0.034  1.0
  O  O28  1  0.586  0.647  0.466  1.0
  O  O29  1  0.164  0.363  0.034  1.0
[/CIF]
.
The compound described by Cs2V4O9 crystallizes in the tetragonal I-42d space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(3) and eight equivalent O(2) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1) and three equivalent V(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent V(1) atoms. In the third O site, O(2) is bonded in a single-bond geometry to four equivalent Cs(1) and one V(1) atom. is represented by the CIF file [CIF]
data_Cs2V4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.731
_cell_length_b   5.731
_cell_length_c   15.789
_cell_angle_alpha   79.548
_cell_angle_beta   79.547
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   501.146
_cell_formula_units_Z   2
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  0.375  0.855  0.750  1.0
  Cs  Cs1  1  0.875  0.395  0.750  1.0
  Cs  Cs2  1  0.145  0.125  0.250  1.0
  Cs  Cs3  1  0.605  0.625  0.250  1.0
  V  V4  1  0.123  0.689  0.048  1.0
  V  V5  1  0.921  0.561  0.452  1.0
  V  V6  1  0.439  0.373  0.548  1.0
  V  V7  1  0.311  0.171  0.952  1.0
  V  V8  1  0.627  0.986  0.452  1.0
  V  V9  1  0.829  0.264  0.048  1.0
  V  V10  1  0.014  0.079  0.548  1.0
  V  V11  1  0.736  0.877  0.952  1.0
  O  O12  1  0.750  0.250  0.500  1.0
  O  O13  1  1.000  0.000  0.000  1.0
  O  O14  1  0.602  0.092  0.350  1.0
  O  O15  1  0.148  0.692  0.150  1.0
  O  O16  1  0.048  0.558  0.350  1.0
  O  O17  1  0.702  0.158  0.150  1.0
  O  O18  1  0.908  0.952  0.650  1.0
  O  O19  1  0.842  0.852  0.850  1.0
  O  O20  1  0.442  0.398  0.650  1.0
  O  O21  1  0.308  0.298  0.850  1.0
  O  O22  1  0.353  0.052  0.534  1.0
  O  O23  1  0.397  0.836  0.966  1.0
  O  O24  1  0.113  0.414  0.534  1.0
  O  O25  1  0.637  0.198  0.966  1.0
  O  O26  1  0.948  0.887  0.466  1.0
  O  O27  1  0.802  0.603  0.034  1.0
  O  O28  1  0.586  0.647  0.466  1.0
  O  O29  1  0.164  0.363  0.034  1.0
[/CIF]
.