The compound described by Li3V4O11F crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(8), one O(9), and one F(1) atom. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(3), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(4)O5F octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one V(4)O5F octahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(8), one O(9), and one F(1) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), and one O(7) atom. In the third V site, V(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra and  an edgeedge with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. In the fourth V site, V(4) is bonded to one O(1), one O(11), one O(5), one O(6), one O(7), and one F(1) atom to form distorted VO5F octahedra that share  a cornercorner with one Li(3)O6 octahedra and  an edgeedge with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(2), one V(1), and one V(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one V(2), and one V(3) atom to form edge-sharing OLi2V2 tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(3) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one V(2), and one V(3) atom to form edge-sharing OLi2V2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Li(3), one V(2), and one V(4) atom. F(1) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one V(4) atom. is represented by the CIF card [CIF]
data_Li3V4O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.982
_cell_length_b   5.089
_cell_length_c   9.044
_cell_angle_alpha   95.271
_cell_angle_beta   89.635
_cell_angle_gamma   110.686
_symmetry_Int_Tables_number   1
_cell_volume   213.516
_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  0.410  0.836  0.119  1.0
  Li  Li1  1  0.101  0.653  0.393  1.0
  Li  Li2  1  0.614  0.171  0.872  1.0
  V  V3  1  0.490  0.259  0.384  1.0
  V  V4  1  0.963  0.750  0.883  1.0
  V  V5  1  0.070  0.188  0.139  1.0
  V  V6  1  0.566  0.755  0.642  1.0
  O  O7  1  0.477  0.991  0.492  1.0
  O  O8  1  0.321  0.497  0.226  1.0
  O  O9  1  0.998  0.508  0.989  1.0
  O  O10  1  0.758  0.921  0.008  1.0
  O  O11  1  0.846  0.025  0.717  1.0
  O  O12  1  0.725  0.586  0.483  1.0
  O  O13  1  0.272  0.781  0.750  1.0
  O  O14  1  0.734  0.235  0.249  1.0
  O  O15  1  0.143  0.981  0.269  1.0
  O  O16  1  0.271  0.095  0.991  1.0
  O  O17  1  0.655  0.519  0.769  1.0
  F  F18  1  0.213  0.394  0.505  1.0
[/CIF]
.
The compound described by Li3V4O11F crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(8), one O(9), and one F(1) atom. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(3), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(4)O5F octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one V(4)O5F octahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(8), one O(9), and one F(1) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), and one O(7) atom. In the third V site, V(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra and  an edgeedge with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. In the fourth V site, V(4) is bonded to one O(1), one O(11), one O(5), one O(6), one O(7), and one F(1) atom to form distorted VO5F octahedra that share  a cornercorner with one Li(3)O6 octahedra and  an edgeedge with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(2), one V(1), and one V(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one V(2), and one V(3) atom to form edge-sharing OLi2V2 tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(3) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one V(2), and one V(3) atom to form edge-sharing OLi2V2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Li(3), one V(2), and one V(4) atom. F(1) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one V(4) atom. is represented by the CIF card [CIF]
data_Li3V4O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.982
_cell_length_b   5.089
_cell_length_c   9.044
_cell_angle_alpha   95.271
_cell_angle_beta   89.635
_cell_angle_gamma   110.686
_symmetry_Int_Tables_number   1
_cell_volume   213.516
_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  0.410  0.836  0.119  1.0
  Li  Li1  1  0.101  0.653  0.393  1.0
  Li  Li2  1  0.614  0.171  0.872  1.0
  V  V3  1  0.490  0.259  0.384  1.0
  V  V4  1  0.963  0.750  0.883  1.0
  V  V5  1  0.070  0.188  0.139  1.0
  V  V6  1  0.566  0.755  0.642  1.0
  O  O7  1  0.477  0.991  0.492  1.0
  O  O8  1  0.321  0.497  0.226  1.0
  O  O9  1  0.998  0.508  0.989  1.0
  O  O10  1  0.758  0.921  0.008  1.0
  O  O11  1  0.846  0.025  0.717  1.0
  O  O12  1  0.725  0.586  0.483  1.0
  O  O13  1  0.272  0.781  0.750  1.0
  O  O14  1  0.734  0.235  0.249  1.0
  O  O15  1  0.143  0.981  0.269  1.0
  O  O16  1  0.271  0.095  0.991  1.0
  O  O17  1  0.655  0.519  0.769  1.0
  F  F18  1  0.213  0.394  0.505  1.0
[/CIF]
.