The material structure described by LiV5O10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and one O(9) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second V site, V(2) is bonded to one O(1), one O(10), 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 14-15°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(4), one O(6), and one O(8) atom. In the fifth V site, V(5) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one V(1), one V(2), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(1), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one V(2), one V(3), one V(4), and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(5) atom. In the tenth O site, O(10) is bonded in a see-saw-like geometry to one V(2), one V(3), one V(4), and one V(5) atom. is represented by the CIF card [CIF]
data_LiV5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.112
_cell_length_b   5.148
_cell_length_c   7.814
_cell_angle_alpha   74.175
_cell_angle_beta   74.873
_cell_angle_gamma   78.968
_symmetry_Int_Tables_number   1
_cell_volume   189.391
_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
  Li  Li0  1  0.496  0.294  0.552  1.0
  V  V1  1  0.038  0.897  0.682  1.0
  V  V2  1  0.499  0.992  0.999  1.0
  V  V3  1  0.985  0.316  0.887  1.0
  V  V4  1  0.978  0.654  0.140  1.0
  V  V5  1  1.000  0.077  0.319  1.0
  O  O6  1  0.231  0.981  0.850  1.0
  O  O7  1  0.788  0.917  0.518  1.0
  O  O8  1  0.788  0.661  0.948  1.0
  O  O9  1  0.246  0.794  0.215  1.0
  O  O10  1  0.186  0.533  0.692  1.0
  O  O11  1  0.796  0.453  0.331  1.0
  O  O12  1  0.753  0.187  0.778  1.0
  O  O13  1  0.202  0.324  0.067  1.0
  O  O14  1  0.228  0.099  0.479  1.0
  O  O15  1  0.790  0.035  0.126  1.0
[/CIF]
.
The material structure described by LiV5O10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and one O(9) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second V site, V(2) is bonded to one O(1), one O(10), 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 14-15°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(4), one O(6), and one O(8) atom. In the fifth V site, V(5) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one V(1), one V(2), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(1), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one V(2), one V(3), one V(4), and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(5) atom. In the tenth O site, O(10) is bonded in a see-saw-like geometry to one V(2), one V(3), one V(4), and one V(5) atom. is represented by the CIF card [CIF]
data_LiV5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.112
_cell_length_b   5.148
_cell_length_c   7.814
_cell_angle_alpha   74.175
_cell_angle_beta   74.873
_cell_angle_gamma   78.968
_symmetry_Int_Tables_number   1
_cell_volume   189.391
_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
  Li  Li0  1  0.496  0.294  0.552  1.0
  V  V1  1  0.038  0.897  0.682  1.0
  V  V2  1  0.499  0.992  0.999  1.0
  V  V3  1  0.985  0.316  0.887  1.0
  V  V4  1  0.978  0.654  0.140  1.0
  V  V5  1  1.000  0.077  0.319  1.0
  O  O6  1  0.231  0.981  0.850  1.0
  O  O7  1  0.788  0.917  0.518  1.0
  O  O8  1  0.788  0.661  0.948  1.0
  O  O9  1  0.246  0.794  0.215  1.0
  O  O10  1  0.186  0.533  0.692  1.0
  O  O11  1  0.796  0.453  0.331  1.0
  O  O12  1  0.753  0.187  0.778  1.0
  O  O13  1  0.202  0.324  0.067  1.0
  O  O14  1  0.228  0.099  0.479  1.0
  O  O15  1  0.790  0.035  0.126  1.0
[/CIF]
.