The crystal structure described by CsV2O5 crystallizes in the monoclinic Cm space group. Cs(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one V(1), and one V(2) atom. is represented by the CIF card [CIF]
data_CsV2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.977
_cell_length_c   5.975
_cell_angle_alpha   122.164
_cell_angle_beta   86.811
_cell_angle_gamma   93.187
_symmetry_Int_Tables_number   1
_cell_volume   178.473
_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  0.137  0.951  0.549  1.0
  V  V1  1  0.588  0.339  0.161  1.0
  V  V2  1  0.609  0.662  0.838  1.0
  O  O3  1  0.490  0.004  0.992  1.0
  O  O4  1  0.490  0.508  0.496  1.0
  O  O5  1  0.867  0.355  0.144  1.0
  O  O6  1  0.888  0.684  0.816  1.0
  O  O7  1  0.474  0.496  0.004  1.0
[/CIF]
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The crystal structure described by CsV2O5 crystallizes in the monoclinic Cm space group. Cs(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one V(1), and one V(2) atom. is represented by the CIF card [CIF]
data_CsV2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.977
_cell_length_c   5.975
_cell_angle_alpha   122.164
_cell_angle_beta   86.811
_cell_angle_gamma   93.187
_symmetry_Int_Tables_number   1
_cell_volume   178.473
_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  0.137  0.951  0.549  1.0
  V  V1  1  0.588  0.339  0.161  1.0
  V  V2  1  0.609  0.662  0.838  1.0
  O  O3  1  0.490  0.004  0.992  1.0
  O  O4  1  0.490  0.508  0.496  1.0
  O  O5  1  0.867  0.355  0.144  1.0
  O  O6  1  0.888  0.684  0.816  1.0
  O  O7  1  0.474  0.496  0.004  1.0
[/CIF]
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