The crystal structure 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 to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form a mixture of distorted corner and edge-sharing LiO6 octahedra. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), one O(7), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-82°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(4), one O(9), and one F(1) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(7) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and one F(1) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one O(8), one O(9), and one F(1) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(7), and one O(8) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(3), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Li(1), one V(1), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one V(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one V(4) atom. F(1) is bonded in a trigonal non-coplanar geometry to one Li(3), one V(2), and one V(3) atom. is represented by the CIF card [CIF]
data_Li3V4O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.162
_cell_length_b   5.218
_cell_length_c   8.344
_cell_angle_alpha   93.009
_cell_angle_beta   96.096
_cell_angle_gamma   100.950
_symmetry_Int_Tables_number   1
_cell_volume   218.810
_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  0.138  0.622  0.862  1.0
  Li  Li1  1  0.589  0.316  0.788  1.0
  Li  Li2  1  0.647  0.085  0.374  1.0
  V  V3  1  0.737  0.905  0.977  1.0
  V  V4  1  0.828  0.692  0.557  1.0
  V  V5  1  0.269  0.409  0.452  1.0
  V  V6  1  0.302  0.184  0.038  1.0
  O  O7  1  0.973  0.984  0.510  1.0
  O  O8  1  0.384  0.988  0.870  1.0
  O  O9  1  0.983  0.768  0.061  1.0
  O  O10  1  0.492  0.705  0.432  1.0
  O  O11  1  0.745  0.722  0.757  1.0
  O  O12  1  0.108  0.524  0.625  1.0
  O  O13  1  0.453  0.482  0.987  1.0
  O  O14  1  0.239  0.251  0.251  1.0
  O  O15  1  0.500  0.265  0.555  1.0
  O  O16  1  0.948  0.205  0.937  1.0
  O  O17  1  0.587  0.024  0.143  1.0
  F  F18  1  0.877  0.462  0.362  1.0
[/CIF]
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The crystal structure 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 to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form a mixture of distorted corner and edge-sharing LiO6 octahedra. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), one O(7), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-82°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(4), one O(9), and one F(1) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(7) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and one F(1) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one O(8), one O(9), and one F(1) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(7), and one O(8) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(3), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Li(1), one V(1), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one V(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one V(4) atom. F(1) is bonded in a trigonal non-coplanar geometry to one Li(3), one V(2), and one V(3) atom. is represented by the CIF card [CIF]
data_Li3V4O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.162
_cell_length_b   5.218
_cell_length_c   8.344
_cell_angle_alpha   93.009
_cell_angle_beta   96.096
_cell_angle_gamma   100.950
_symmetry_Int_Tables_number   1
_cell_volume   218.810
_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  0.138  0.622  0.862  1.0
  Li  Li1  1  0.589  0.316  0.788  1.0
  Li  Li2  1  0.647  0.085  0.374  1.0
  V  V3  1  0.737  0.905  0.977  1.0
  V  V4  1  0.828  0.692  0.557  1.0
  V  V5  1  0.269  0.409  0.452  1.0
  V  V6  1  0.302  0.184  0.038  1.0
  O  O7  1  0.973  0.984  0.510  1.0
  O  O8  1  0.384  0.988  0.870  1.0
  O  O9  1  0.983  0.768  0.061  1.0
  O  O10  1  0.492  0.705  0.432  1.0
  O  O11  1  0.745  0.722  0.757  1.0
  O  O12  1  0.108  0.524  0.625  1.0
  O  O13  1  0.453  0.482  0.987  1.0
  O  O14  1  0.239  0.251  0.251  1.0
  O  O15  1  0.500  0.265  0.555  1.0
  O  O16  1  0.948  0.205  0.937  1.0
  O  O17  1  0.587  0.024  0.143  1.0
  F  F18  1  0.877  0.462  0.362  1.0
[/CIF]
.