The material described by Li3VO3F crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one V(3) and one O(2) atom. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one O(10) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one V(1), one O(4), and one F(1) atom. In the fourth Li site, Li(4) is bonded in a 1-coordinate geometry to one V(3), one O(6), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one V(4), one F(3), and one F(4) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one V(2), one O(6), and one O(8) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one V(2), one O(2), and one O(9) atom. In the eighth Li site, Li(8) is bonded in a distorted linear geometry to one O(1) and one O(11) atom. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one V(1), one V(4), one O(1), and one O(11) atom. In the tenth Li site, Li(10) is bonded in a 2-coordinate geometry to one O(12) and one F(2) atom. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one V(2), one V(3), one O(5), and one O(7) atom. In the twelfth Li site, Li(12) is bonded in a distorted linear geometry to one F(3) and one F(4) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 1-coordinate geometry to one Li(3), one Li(9), and one O(7) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one Li(11), one Li(6), one Li(7), one O(4), and one F(1) atom. In the third V site, V(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(11), one Li(4), one O(12), and one F(2) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one Li(5), one Li(9), one O(10), and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Li(8) and one Li(9) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Li(1) and one Li(7) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(4) and one F(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Li(3) and one V(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(11) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(4) and one Li(6) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(11), one V(1), and one F(2) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Li(4), one Li(6), and one F(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one Li(7) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Li(2) and one V(4) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Li(8) and one Li(9) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Li(10) and one V(3) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Li(3) and one V(2) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(10), one V(3), one O(3), one O(7), and one O(8) atom. In the third F site, F(3) is bonded in a linear geometry to one Li(12) and one Li(5) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Li(12) and one Li(5) atom. is represented by the CIF file [CIF]
data_Li3VO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.201
_cell_length_b   7.213
_cell_length_c   7.230
_cell_angle_alpha   109.841
_cell_angle_beta   108.954
_cell_angle_gamma   109.443
_symmetry_Int_Tables_number   1
_cell_volume   289.703
_cell_formula_units_Z   4
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  0.485  0.984  0.260  1.0
  Li  Li1  1  0.509  0.516  0.748  1.0
  Li  Li2  1  0.488  0.753  0.005  1.0
  Li  Li3  1  0.266  0.752  0.730  1.0
  Li  Li4  1  0.007  0.736  0.504  1.0
  Li  Li5  1  0.755  0.256  0.741  1.0
  Li  Li6  1  0.007  0.489  0.270  1.0
  Li  Li7  1  0.248  0.509  0.494  1.0
  Li  Li8  1  0.749  0.001  0.503  1.0
  Li  Li9  1  0.765  0.507  0.997  1.0
  Li  Li10  1  0.258  0.262  0.252  1.0
  Li  Li11  1  0.510  0.247  0.494  1.0
  V  V12  1  0.722  0.741  0.259  1.0
  V  V13  1  0.981  0.257  0.000  1.0
  V  V14  1  0.244  0.977  1.000  1.0
  V  V15  1  0.979  0.000  0.741  1.0
  O  O16  1  0.524  0.756  0.486  1.0
  O  O17  1  0.241  0.762  0.237  1.0
  O  O18  1  0.216  0.222  0.776  1.0
  O  O19  1  0.755  0.999  0.002  1.0
  O  O20  1  0.001  0.997  0.222  1.0
  O  O21  1  0.006  0.485  0.764  1.0
  O  O22  1  0.531  0.518  0.247  1.0
  O  O23  1  0.475  0.006  0.768  1.0
  O  O24  1  0.776  0.247  0.234  1.0
  O  O25  1  0.774  0.766  0.754  1.0
  O  O26  1  0.007  0.238  0.513  1.0
  O  O27  1  0.997  0.767  0.998  1.0
  F  F28  1  0.250  0.494  0.997  1.0
  F  F29  1  0.484  0.247  0.004  1.0
  F  F30  1  0.742  0.502  0.504  1.0
  F  F31  1  0.250  0.008  0.498  1.0
[/CIF]
.
The material described by Li3VO3F crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one V(3) and one O(2) atom. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one O(10) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one V(1), one O(4), and one F(1) atom. In the fourth Li site, Li(4) is bonded in a 1-coordinate geometry to one V(3), one O(6), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one V(4), one F(3), and one F(4) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one V(2), one O(6), and one O(8) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one V(2), one O(2), and one O(9) atom. In the eighth Li site, Li(8) is bonded in a distorted linear geometry to one O(1) and one O(11) atom. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one V(1), one V(4), one O(1), and one O(11) atom. In the tenth Li site, Li(10) is bonded in a 2-coordinate geometry to one O(12) and one F(2) atom. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one V(2), one V(3), one O(5), and one O(7) atom. In the twelfth Li site, Li(12) is bonded in a distorted linear geometry to one F(3) and one F(4) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 1-coordinate geometry to one Li(3), one Li(9), and one O(7) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one Li(11), one Li(6), one Li(7), one O(4), and one F(1) atom. In the third V site, V(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(11), one Li(4), one O(12), and one F(2) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one Li(5), one Li(9), one O(10), and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Li(8) and one Li(9) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Li(1) and one Li(7) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(4) and one F(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Li(3) and one V(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(11) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(4) and one Li(6) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(11), one V(1), and one F(2) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Li(4), one Li(6), and one F(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one Li(7) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Li(2) and one V(4) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Li(8) and one Li(9) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Li(10) and one V(3) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Li(3) and one V(2) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(10), one V(3), one O(3), one O(7), and one O(8) atom. In the third F site, F(3) is bonded in a linear geometry to one Li(12) and one Li(5) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Li(12) and one Li(5) atom. is represented by the CIF file [CIF]
data_Li3VO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.201
_cell_length_b   7.213
_cell_length_c   7.230
_cell_angle_alpha   109.841
_cell_angle_beta   108.954
_cell_angle_gamma   109.443
_symmetry_Int_Tables_number   1
_cell_volume   289.703
_cell_formula_units_Z   4
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  0.485  0.984  0.260  1.0
  Li  Li1  1  0.509  0.516  0.748  1.0
  Li  Li2  1  0.488  0.753  0.005  1.0
  Li  Li3  1  0.266  0.752  0.730  1.0
  Li  Li4  1  0.007  0.736  0.504  1.0
  Li  Li5  1  0.755  0.256  0.741  1.0
  Li  Li6  1  0.007  0.489  0.270  1.0
  Li  Li7  1  0.248  0.509  0.494  1.0
  Li  Li8  1  0.749  0.001  0.503  1.0
  Li  Li9  1  0.765  0.507  0.997  1.0
  Li  Li10  1  0.258  0.262  0.252  1.0
  Li  Li11  1  0.510  0.247  0.494  1.0
  V  V12  1  0.722  0.741  0.259  1.0
  V  V13  1  0.981  0.257  0.000  1.0
  V  V14  1  0.244  0.977  1.000  1.0
  V  V15  1  0.979  0.000  0.741  1.0
  O  O16  1  0.524  0.756  0.486  1.0
  O  O17  1  0.241  0.762  0.237  1.0
  O  O18  1  0.216  0.222  0.776  1.0
  O  O19  1  0.755  0.999  0.002  1.0
  O  O20  1  0.001  0.997  0.222  1.0
  O  O21  1  0.006  0.485  0.764  1.0
  O  O22  1  0.531  0.518  0.247  1.0
  O  O23  1  0.475  0.006  0.768  1.0
  O  O24  1  0.776  0.247  0.234  1.0
  O  O25  1  0.774  0.766  0.754  1.0
  O  O26  1  0.007  0.238  0.513  1.0
  O  O27  1  0.997  0.767  0.998  1.0
  F  F28  1  0.250  0.494  0.997  1.0
  F  F29  1  0.484  0.247  0.004  1.0
  F  F30  1  0.742  0.502  0.504  1.0
  F  F31  1  0.250  0.008  0.498  1.0
[/CIF]
.