The material described by LiV5O10 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-25°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the fourth V site, V(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 17°. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded to one Li(1), one V(3), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.400
_cell_length_b   7.400
_cell_length_c   5.511
_cell_angle_alpha   80.343
_cell_angle_beta   80.343
_cell_angle_gamma   138.287
_symmetry_Int_Tables_number   1
_cell_volume   177.129
_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  0.986  0.014  0.000  1.0
  V  V1  1  0.596  0.404  0.000  1.0
  V  V2  1  0.208  0.792  0.000  1.0
  V  V3  1  0.291  0.709  0.500  1.0
  V  V4  1  0.895  0.105  0.500  1.0
  V  V5  1  0.512  0.488  0.500  1.0
  O  O6  1  0.821  0.624  0.208  1.0
  O  O7  1  0.416  0.019  0.193  1.0
  O  O8  1  0.075  0.474  0.285  1.0
  O  O9  1  0.672  0.861  0.307  1.0
  O  O10  1  0.285  0.278  0.280  1.0
  O  O11  1  0.526  0.925  0.715  1.0
  O  O12  1  0.139  0.328  0.693  1.0
  O  O13  1  0.722  0.715  0.720  1.0
  O  O14  1  0.376  0.179  0.792  1.0
  O  O15  1  0.981  0.584  0.807  1.0
[/CIF]
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The material described by LiV5O10 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-25°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the fourth V site, V(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 17°. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded to one Li(1), one V(3), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.400
_cell_length_b   7.400
_cell_length_c   5.511
_cell_angle_alpha   80.343
_cell_angle_beta   80.343
_cell_angle_gamma   138.287
_symmetry_Int_Tables_number   1
_cell_volume   177.129
_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  0.986  0.014  0.000  1.0
  V  V1  1  0.596  0.404  0.000  1.0
  V  V2  1  0.208  0.792  0.000  1.0
  V  V3  1  0.291  0.709  0.500  1.0
  V  V4  1  0.895  0.105  0.500  1.0
  V  V5  1  0.512  0.488  0.500  1.0
  O  O6  1  0.821  0.624  0.208  1.0
  O  O7  1  0.416  0.019  0.193  1.0
  O  O8  1  0.075  0.474  0.285  1.0
  O  O9  1  0.672  0.861  0.307  1.0
  O  O10  1  0.285  0.278  0.280  1.0
  O  O11  1  0.526  0.925  0.715  1.0
  O  O12  1  0.139  0.328  0.693  1.0
  O  O13  1  0.722  0.715  0.720  1.0
  O  O14  1  0.376  0.179  0.792  1.0
  O  O15  1  0.981  0.584  0.807  1.0
[/CIF]
.