The material described by V3O5 crystallizes in the monoclinic P2 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(6), one O(9), and two equivalent O(10) atoms to form a mixture of distorted corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second V site, V(2) is bonded to one O(10), one O(11), one O(2), one O(5), and two equivalent O(9) atoms to form a mixture of distorted corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the third V site, V(3) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(3) atoms to form a mixture of distorted corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(6), one O(7), and two equivalent O(4) atoms to form a mixture of distorted corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the fifth V site, V(5) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the sixth V site, V(6) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded to one V(4), one V(6), and two equivalent V(3) atoms to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the fourth O site, O(4) is bonded to one V(3), one V(6), and two equivalent V(4) atoms to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded to two equivalent V(4) and two equivalent V(6) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the eighth O site, O(8) is bonded to two equivalent V(3) and two equivalent V(6) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the ninth O site, O(9) is bonded to one V(1), one V(5), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the tenth O site, O(10) is bonded to one V(2), one V(5), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the eleventh O site, O(11) is bonded to two equivalent V(2) and two equivalent V(5) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the twelfth O site, O(12) is bonded to two equivalent V(1) and two equivalent V(5) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. is represented by the CIF file [CIF]
data_V3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.189
_cell_length_b   7.107
_cell_length_c   9.990
_cell_angle_alpha   109.170
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.978
_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
  V  V0  1  0.504  0.909  0.628  1.0
  V  V1  1  0.498  0.410  0.631  1.0
  V  V2  1  0.498  0.090  0.369  1.0
  V  V3  1  0.504  0.591  0.372  1.0
  V  V4  1  0.997  0.591  0.872  1.0
  V  V5  1  0.997  0.909  0.128  1.0
  V  V6  1  0.001  0.409  0.131  1.0
  V  V7  1  0.001  0.091  0.869  1.0
  V  V8  1  0.998  0.998  0.499  1.0
  V  V9  1  0.998  0.502  0.501  1.0
  V  V10  1  0.503  0.999  0.999  1.0
  V  V11  1  0.503  0.501  0.001  1.0
  O  O12  1  0.661  0.526  0.186  1.0
  O  O13  1  0.355  0.034  0.199  1.0
  O  O14  1  0.355  0.466  0.801  1.0
  O  O15  1  0.661  0.974  0.814  1.0
  O  O16  1  0.152  0.866  0.921  1.0
  O  O17  1  0.850  0.141  0.079  1.0
  O  O18  1  0.850  0.359  0.921  1.0
  O  O19  1  0.152  0.634  0.079  1.0
  O  O20  1  0.840  0.524  0.686  1.0
  O  O21  1  0.840  0.976  0.314  1.0
  O  O22  1  0.143  0.036  0.698  1.0
  O  O23  1  0.143  0.464  0.302  1.0
  O  O24  1  0.296  0.250  0.000  1.0
  O  O25  1  0.689  0.750  0.000  1.0
  O  O26  1  0.650  0.360  0.421  1.0
  O  O27  1  0.349  0.864  0.420  1.0
  O  O28  1  0.349  0.636  0.580  1.0
  O  O29  1  0.650  0.140  0.579  1.0
  O  O30  1  0.204  0.250  0.500  1.0
  O  O31  1  0.813  0.750  0.500  1.0
[/CIF]
.
The material described by V3O5 crystallizes in the monoclinic P2 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(6), one O(9), and two equivalent O(10) atoms to form a mixture of distorted corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second V site, V(2) is bonded to one O(10), one O(11), one O(2), one O(5), and two equivalent O(9) atoms to form a mixture of distorted corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the third V site, V(3) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(3) atoms to form a mixture of distorted corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(6), one O(7), and two equivalent O(4) atoms to form a mixture of distorted corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the fifth V site, V(5) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the sixth V site, V(6) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded to one V(4), one V(6), and two equivalent V(3) atoms to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the fourth O site, O(4) is bonded to one V(3), one V(6), and two equivalent V(4) atoms to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded to two equivalent V(4) and two equivalent V(6) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the eighth O site, O(8) is bonded to two equivalent V(3) and two equivalent V(6) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the ninth O site, O(9) is bonded to one V(1), one V(5), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the tenth O site, O(10) is bonded to one V(2), one V(5), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the eleventh O site, O(11) is bonded to two equivalent V(2) and two equivalent V(5) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the twelfth O site, O(12) is bonded to two equivalent V(1) and two equivalent V(5) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. is represented by the CIF file [CIF]
data_V3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.189
_cell_length_b   7.107
_cell_length_c   9.990
_cell_angle_alpha   109.170
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.978
_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
  V  V0  1  0.504  0.909  0.628  1.0
  V  V1  1  0.498  0.410  0.631  1.0
  V  V2  1  0.498  0.090  0.369  1.0
  V  V3  1  0.504  0.591  0.372  1.0
  V  V4  1  0.997  0.591  0.872  1.0
  V  V5  1  0.997  0.909  0.128  1.0
  V  V6  1  0.001  0.409  0.131  1.0
  V  V7  1  0.001  0.091  0.869  1.0
  V  V8  1  0.998  0.998  0.499  1.0
  V  V9  1  0.998  0.502  0.501  1.0
  V  V10  1  0.503  0.999  0.999  1.0
  V  V11  1  0.503  0.501  0.001  1.0
  O  O12  1  0.661  0.526  0.186  1.0
  O  O13  1  0.355  0.034  0.199  1.0
  O  O14  1  0.355  0.466  0.801  1.0
  O  O15  1  0.661  0.974  0.814  1.0
  O  O16  1  0.152  0.866  0.921  1.0
  O  O17  1  0.850  0.141  0.079  1.0
  O  O18  1  0.850  0.359  0.921  1.0
  O  O19  1  0.152  0.634  0.079  1.0
  O  O20  1  0.840  0.524  0.686  1.0
  O  O21  1  0.840  0.976  0.314  1.0
  O  O22  1  0.143  0.036  0.698  1.0
  O  O23  1  0.143  0.464  0.302  1.0
  O  O24  1  0.296  0.250  0.000  1.0
  O  O25  1  0.689  0.750  0.000  1.0
  O  O26  1  0.650  0.360  0.421  1.0
  O  O27  1  0.349  0.864  0.420  1.0
  O  O28  1  0.349  0.636  0.580  1.0
  O  O29  1  0.650  0.140  0.579  1.0
  O  O30  1  0.204  0.250  0.500  1.0
  O  O31  1  0.813  0.750  0.500  1.0
[/CIF]
.