The material described by Li2V4O3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), one F(1), one F(2), and one F(4) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent V(1) and two equivalent V(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_Li2V4O3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.595
_cell_length_b   6.890
_cell_length_c   5.148
_cell_angle_alpha   105.380
_cell_angle_beta   96.809
_cell_angle_gamma   107.942
_symmetry_Int_Tables_number   1
_cell_volume   209.414
_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  0.398  0.670  0.180  1.0
  Li  Li1  1  0.602  0.330  0.820  1.0
  V  V2  1  0.966  0.903  0.245  1.0
  V  V3  1  0.764  0.350  0.380  1.0
  V  V4  1  0.236  0.650  0.620  1.0
  V  V5  1  0.034  0.097  0.755  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.948  0.734  0.525  1.0
  O  O8  1  0.052  0.266  0.475  1.0
  F  F9  1  0.803  0.488  0.109  1.0
  F  F10  1  0.666  0.954  0.207  1.0
  F  F11  1  0.483  0.381  0.285  1.0
  F  F12  1  0.251  0.803  0.349  1.0
  F  F13  1  0.749  0.197  0.651  1.0
  F  F14  1  0.517  0.619  0.715  1.0
  F  F15  1  0.334  0.046  0.793  1.0
  F  F16  1  0.197  0.512  0.891  1.0
[/CIF]
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The material described by Li2V4O3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), one F(1), one F(2), and one F(4) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent V(1) and two equivalent V(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_Li2V4O3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.595
_cell_length_b   6.890
_cell_length_c   5.148
_cell_angle_alpha   105.380
_cell_angle_beta   96.809
_cell_angle_gamma   107.942
_symmetry_Int_Tables_number   1
_cell_volume   209.414
_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  0.398  0.670  0.180  1.0
  Li  Li1  1  0.602  0.330  0.820  1.0
  V  V2  1  0.966  0.903  0.245  1.0
  V  V3  1  0.764  0.350  0.380  1.0
  V  V4  1  0.236  0.650  0.620  1.0
  V  V5  1  0.034  0.097  0.755  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.948  0.734  0.525  1.0
  O  O8  1  0.052  0.266  0.475  1.0
  F  F9  1  0.803  0.488  0.109  1.0
  F  F10  1  0.666  0.954  0.207  1.0
  F  F11  1  0.483  0.381  0.285  1.0
  F  F12  1  0.251  0.803  0.349  1.0
  F  F13  1  0.749  0.197  0.651  1.0
  F  F14  1  0.517  0.619  0.715  1.0
  F  F15  1  0.334  0.046  0.793  1.0
  F  F16  1  0.197  0.512  0.891  1.0
[/CIF]
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