The crystal structure described by Li4VO3F2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li4VO3F2 cluster. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to one O(3) and one F(4) atom. In the second Li site, Li(2) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(5) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(1) and one O(6) atom. In the fourth Li site, Li(4) is bonded in a distorted bent 150 degrees geometry to one O(1) and one F(2) atom. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one O(2) and one F(3) atom. In the sixth Li site, Li(6) is bonded in a distorted single-bond geometry to one O(3) atom. In the seventh Li site, Li(7) is bonded in a distorted linear geometry to one O(4) and one O(6) atom. In the eighth Li site, Li(8) is bonded in a distorted linear geometry to one F(1) and one F(3) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted linear geometry to one O(4) and one F(1) atom. In the second V site, V(2) is bonded in a linear geometry to one F(2) and one F(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(3) and one Li(4) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(2) and one Li(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Li(6) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(7) and one V(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(3) and one Li(7) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Li(8) and one V(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Li(4) and one V(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Li(5) and one Li(8) atom. In the fourth F site, F(4) is bonded in a distorted linear geometry to one Li(1) and one V(2) atom. is represented by the CIF file [CIF]
data_Li4VO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.157
_cell_length_b   5.172
_cell_length_c   7.664
_cell_angle_alpha   108.276
_cell_angle_beta   104.259
_cell_angle_gamma   99.204
_symmetry_Int_Tables_number   1
_cell_volume   181.765
_cell_formula_units_Z   2
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  0.886  0.295  0.312  1.0
  Li  Li1  1  0.547  0.506  0.493  1.0
  Li  Li2  1  0.034  0.526  0.990  1.0
  Li  Li3  1  0.332  0.099  0.088  1.0
  Li  Li4  1  0.811  0.100  0.595  1.0
  Li  Li5  1  0.175  0.877  0.408  1.0
  Li  Li6  1  0.678  0.883  0.896  1.0
  Li  Li7  1  0.100  0.715  0.696  1.0
  V  V8  1  0.383  0.332  0.808  1.0
  V  V9  1  0.568  0.676  0.216  1.0
  O  O10  1  0.145  0.832  0.032  1.0
  O  O11  1  0.620  0.744  0.573  1.0
  O  O12  1  0.098  0.615  0.335  1.0
  O  O13  1  0.546  0.590  0.848  1.0
  O  O14  1  0.394  0.247  0.423  1.0
  O  O15  1  0.855  0.180  0.964  1.0
  F  F16  1  0.236  0.002  0.751  1.0
  F  F17  1  0.437  0.409  0.156  1.0
  F  F18  1  0.924  0.396  0.660  1.0
  F  F19  1  0.731  0.977  0.257  1.0
[/CIF]
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The crystal structure described by Li4VO3F2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li4VO3F2 cluster. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to one O(3) and one F(4) atom. In the second Li site, Li(2) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(5) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(1) and one O(6) atom. In the fourth Li site, Li(4) is bonded in a distorted bent 150 degrees geometry to one O(1) and one F(2) atom. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one O(2) and one F(3) atom. In the sixth Li site, Li(6) is bonded in a distorted single-bond geometry to one O(3) atom. In the seventh Li site, Li(7) is bonded in a distorted linear geometry to one O(4) and one O(6) atom. In the eighth Li site, Li(8) is bonded in a distorted linear geometry to one F(1) and one F(3) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted linear geometry to one O(4) and one F(1) atom. In the second V site, V(2) is bonded in a linear geometry to one F(2) and one F(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(3) and one Li(4) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(2) and one Li(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Li(6) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(7) and one V(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(3) and one Li(7) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Li(8) and one V(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Li(4) and one V(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Li(5) and one Li(8) atom. In the fourth F site, F(4) is bonded in a distorted linear geometry to one Li(1) and one V(2) atom. is represented by the CIF file [CIF]
data_Li4VO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.157
_cell_length_b   5.172
_cell_length_c   7.664
_cell_angle_alpha   108.276
_cell_angle_beta   104.259
_cell_angle_gamma   99.204
_symmetry_Int_Tables_number   1
_cell_volume   181.765
_cell_formula_units_Z   2
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  0.886  0.295  0.312  1.0
  Li  Li1  1  0.547  0.506  0.493  1.0
  Li  Li2  1  0.034  0.526  0.990  1.0
  Li  Li3  1  0.332  0.099  0.088  1.0
  Li  Li4  1  0.811  0.100  0.595  1.0
  Li  Li5  1  0.175  0.877  0.408  1.0
  Li  Li6  1  0.678  0.883  0.896  1.0
  Li  Li7  1  0.100  0.715  0.696  1.0
  V  V8  1  0.383  0.332  0.808  1.0
  V  V9  1  0.568  0.676  0.216  1.0
  O  O10  1  0.145  0.832  0.032  1.0
  O  O11  1  0.620  0.744  0.573  1.0
  O  O12  1  0.098  0.615  0.335  1.0
  O  O13  1  0.546  0.590  0.848  1.0
  O  O14  1  0.394  0.247  0.423  1.0
  O  O15  1  0.855  0.180  0.964  1.0
  F  F16  1  0.236  0.002  0.751  1.0
  F  F17  1  0.437  0.409  0.156  1.0
  F  F18  1  0.924  0.396  0.660  1.0
  F  F19  1  0.731  0.977  0.257  1.0
[/CIF]
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