The material described by Li6V2OF11 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one F(10), one F(3), one F(7), and one F(8) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one F(1), one F(4), one F(6), one F(8), and one F(9) atom. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to one O(1), one F(10), one F(3), one F(4), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one F(1), one F(3), one F(5), and one F(8) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(1), one F(2), one F(4), and one F(9) atom. In the sixth Li site, Li(6) is bonded in a 2-coordinate geometry to one F(11), one F(7), one F(8), and one F(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(11), one F(4), one F(6), and one F(9) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one F(10), one F(2), one F(3), one F(5), and one F(7) atom. O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one V(1), and one V(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(2) and one Li(4) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(5) and one V(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one V(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(5), and one V(1) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Li(4) and one V(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one V(1) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), and one V(2) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one Li(6) atom. In the ninth F site, F(9) is bonded in a distorted tetrahedral geometry to one Li(2), one Li(5), one Li(6), and one V(1) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(3), and one V(2) atom. In the eleventh F site, F(11) is bonded in a distorted water-like geometry to one Li(6) and one V(1) atom. is represented by the CIF card [CIF]
data_Li6V2OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.123
_cell_length_b   5.504
_cell_length_c   8.792
_cell_angle_alpha   105.975
_cell_angle_beta   89.424
_cell_angle_gamma   117.425
_symmetry_Int_Tables_number   1
_cell_volume   209.574
_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  0.200  0.344  0.057  1.0
  Li  Li1  1  0.054  0.407  0.693  1.0
  Li  Li2  1  0.979  0.608  0.333  1.0
  Li  Li3  1  0.757  0.614  0.932  1.0
  Li  Li4  1  0.292  0.150  0.413  1.0
  Li  Li5  1  0.456  0.135  0.815  1.0
  V  V6  1  0.741  0.897  0.565  1.0
  V  V7  1  0.511  0.858  0.169  1.0
  O  O8  1  0.775  0.875  0.385  1.0
  F  F9  1  0.777  0.553  0.707  1.0
  F  F10  1  0.288  0.024  0.220  1.0
  F  F11  1  0.696  0.642  0.135  1.0
  F  F12  1  0.722  0.272  0.473  1.0
  F  F13  1  0.226  0.780  0.972  1.0
  F  F14  1  0.304  0.728  0.533  1.0
  F  F15  1  0.771  0.203  0.036  1.0
  F  F16  1  0.329  0.375  0.875  1.0
  F  F17  1  0.168  0.111  0.616  1.0
  F  F18  1  0.227  0.481  0.275  1.0
  F  F19  1  0.721  0.971  0.763  1.0
[/CIF]
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The material described by Li6V2OF11 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one F(10), one F(3), one F(7), and one F(8) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one F(1), one F(4), one F(6), one F(8), and one F(9) atom. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to one O(1), one F(10), one F(3), one F(4), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one F(1), one F(3), one F(5), and one F(8) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(1), one F(2), one F(4), and one F(9) atom. In the sixth Li site, Li(6) is bonded in a 2-coordinate geometry to one F(11), one F(7), one F(8), and one F(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(11), one F(4), one F(6), and one F(9) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one F(10), one F(2), one F(3), one F(5), and one F(7) atom. O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one V(1), and one V(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(2) and one Li(4) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(5) and one V(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one V(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(5), and one V(1) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Li(4) and one V(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one V(1) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), and one V(2) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one Li(6) atom. In the ninth F site, F(9) is bonded in a distorted tetrahedral geometry to one Li(2), one Li(5), one Li(6), and one V(1) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(3), and one V(2) atom. In the eleventh F site, F(11) is bonded in a distorted water-like geometry to one Li(6) and one V(1) atom. is represented by the CIF card [CIF]
data_Li6V2OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.123
_cell_length_b   5.504
_cell_length_c   8.792
_cell_angle_alpha   105.975
_cell_angle_beta   89.424
_cell_angle_gamma   117.425
_symmetry_Int_Tables_number   1
_cell_volume   209.574
_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  0.200  0.344  0.057  1.0
  Li  Li1  1  0.054  0.407  0.693  1.0
  Li  Li2  1  0.979  0.608  0.333  1.0
  Li  Li3  1  0.757  0.614  0.932  1.0
  Li  Li4  1  0.292  0.150  0.413  1.0
  Li  Li5  1  0.456  0.135  0.815  1.0
  V  V6  1  0.741  0.897  0.565  1.0
  V  V7  1  0.511  0.858  0.169  1.0
  O  O8  1  0.775  0.875  0.385  1.0
  F  F9  1  0.777  0.553  0.707  1.0
  F  F10  1  0.288  0.024  0.220  1.0
  F  F11  1  0.696  0.642  0.135  1.0
  F  F12  1  0.722  0.272  0.473  1.0
  F  F13  1  0.226  0.780  0.972  1.0
  F  F14  1  0.304  0.728  0.533  1.0
  F  F15  1  0.771  0.203  0.036  1.0
  F  F16  1  0.329  0.375  0.875  1.0
  F  F17  1  0.168  0.111  0.616  1.0
  F  F18  1  0.227  0.481  0.275  1.0
  F  F19  1  0.721  0.971  0.763  1.0
[/CIF]
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