The structure described by LiV2O5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent Li(1)O6 pentagonal pyramids, corners with four equivalent V(1)O5 trigonal bipyramids, and edges with four equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(2), one O(3), and three equivalent O(1) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Li(1)O6 pentagonal pyramids, corners with three equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Li(1)O6 pentagonal pyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent V(1) atoms to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(3)Li2V2 tetrahedra, corners with three equivalent O(1)LiV3 trigonal pyramids, edges with two equivalent O(3)Li2V2 tetrahedra, and edges with two equivalent O(1)LiV3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form OLi2V2 tetrahedra that share corners with two equivalent O(3)Li2V2 tetrahedra, corners with two equivalent O(1)LiV3 trigonal pyramids, and edges with four equivalent O(1)LiV3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.649
_cell_length_b   9.718
_cell_length_c   11.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.165
_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
  Li  Li0  1  0.123  0.897  0.250  1.0
  Li  Li1  1  0.377  0.397  0.250  1.0
  Li  Li2  1  0.877  0.103  0.750  1.0
  Li  Li3  1  0.623  0.603  0.750  1.0
  V  V4  1  0.849  0.197  0.100  1.0
  V  V5  1  0.349  0.303  0.900  1.0
  V  V6  1  0.651  0.697  0.400  1.0
  V  V7  1  0.349  0.303  0.600  1.0
  V  V8  1  0.151  0.803  0.900  1.0
  V  V9  1  0.849  0.197  0.400  1.0
  V  V10  1  0.151  0.803  0.600  1.0
  V  V11  1  0.651  0.697  0.100  1.0
  O  O12  1  0.347  0.256  0.428  1.0
  O  O13  1  0.646  0.530  0.377  1.0
  O  O14  1  0.146  0.970  0.877  1.0
  O  O15  1  0.146  0.970  0.623  1.0
  O  O16  1  0.145  0.728  0.750  1.0
  O  O17  1  0.355  0.228  0.750  1.0
  O  O18  1  0.153  0.756  0.072  1.0
  O  O19  1  0.645  0.772  0.250  1.0
  O  O20  1  0.354  0.470  0.877  1.0
  O  O21  1  0.854  0.030  0.377  1.0
  O  O22  1  0.855  0.272  0.250  1.0
  O  O23  1  0.347  0.256  0.072  1.0
  O  O24  1  0.653  0.744  0.928  1.0
  O  O25  1  0.854  0.030  0.123  1.0
  O  O26  1  0.646  0.530  0.123  1.0
  O  O27  1  0.847  0.244  0.928  1.0
  O  O28  1  0.153  0.756  0.428  1.0
  O  O29  1  0.354  0.470  0.623  1.0
  O  O30  1  0.653  0.744  0.572  1.0
  O  O31  1  0.847  0.244  0.572  1.0
[/CIF]
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The structure described by LiV2O5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent Li(1)O6 pentagonal pyramids, corners with four equivalent V(1)O5 trigonal bipyramids, and edges with four equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(2), one O(3), and three equivalent O(1) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Li(1)O6 pentagonal pyramids, corners with three equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Li(1)O6 pentagonal pyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent V(1) atoms to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(3)Li2V2 tetrahedra, corners with three equivalent O(1)LiV3 trigonal pyramids, edges with two equivalent O(3)Li2V2 tetrahedra, and edges with two equivalent O(1)LiV3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form OLi2V2 tetrahedra that share corners with two equivalent O(3)Li2V2 tetrahedra, corners with two equivalent O(1)LiV3 trigonal pyramids, and edges with four equivalent O(1)LiV3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.649
_cell_length_b   9.718
_cell_length_c   11.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.165
_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
  Li  Li0  1  0.123  0.897  0.250  1.0
  Li  Li1  1  0.377  0.397  0.250  1.0
  Li  Li2  1  0.877  0.103  0.750  1.0
  Li  Li3  1  0.623  0.603  0.750  1.0
  V  V4  1  0.849  0.197  0.100  1.0
  V  V5  1  0.349  0.303  0.900  1.0
  V  V6  1  0.651  0.697  0.400  1.0
  V  V7  1  0.349  0.303  0.600  1.0
  V  V8  1  0.151  0.803  0.900  1.0
  V  V9  1  0.849  0.197  0.400  1.0
  V  V10  1  0.151  0.803  0.600  1.0
  V  V11  1  0.651  0.697  0.100  1.0
  O  O12  1  0.347  0.256  0.428  1.0
  O  O13  1  0.646  0.530  0.377  1.0
  O  O14  1  0.146  0.970  0.877  1.0
  O  O15  1  0.146  0.970  0.623  1.0
  O  O16  1  0.145  0.728  0.750  1.0
  O  O17  1  0.355  0.228  0.750  1.0
  O  O18  1  0.153  0.756  0.072  1.0
  O  O19  1  0.645  0.772  0.250  1.0
  O  O20  1  0.354  0.470  0.877  1.0
  O  O21  1  0.854  0.030  0.377  1.0
  O  O22  1  0.855  0.272  0.250  1.0
  O  O23  1  0.347  0.256  0.072  1.0
  O  O24  1  0.653  0.744  0.928  1.0
  O  O25  1  0.854  0.030  0.123  1.0
  O  O26  1  0.646  0.530  0.123  1.0
  O  O27  1  0.847  0.244  0.928  1.0
  O  O28  1  0.153  0.756  0.428  1.0
  O  O29  1  0.354  0.470  0.623  1.0
  O  O30  1  0.653  0.744  0.572  1.0
  O  O31  1  0.847  0.244  0.572  1.0
[/CIF]
.