The material structure described by LiV2OF7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(10), one F(14), one F(4), and one F(5) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(13), one F(2), one F(3), one F(6), and one F(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(14), one F(5), one F(8), and one F(9) atom to form corner-sharing VOF4 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one F(11), one F(2), one F(4), and one F(7) atom to form corner-sharing VOF4 trigonal bipyramids. In the third V site, V(3) is bonded to one O(1), one F(10), one F(13), one F(6), and one F(7) atom to form corner-sharing VOF4 trigonal bipyramids. In the fourth V site, V(4) is bonded to one O(2), one F(1), one F(12), one F(3), and one F(8) atom to form corner-sharing VOF4 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Li(1) and one V(4) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Li(2) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(2) and one V(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(2) and one V(3) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Li(1) and one V(3) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one V(2) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one V(4) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(2) and one V(3) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.664
_cell_length_b   10.974
_cell_length_c   5.725
_cell_angle_alpha   72.211
_cell_angle_beta   90.031
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   338.814
_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  0.869  0.506  0.936  1.0
  Li  Li1  1  0.631  0.006  0.436  1.0
  V  V2  1  0.734  0.311  0.567  1.0
  V  V3  1  0.253  0.685  0.458  1.0
  V  V4  1  0.767  0.811  0.068  1.0
  V  V5  1  0.245  0.186  0.956  1.0
  O  O6  1  0.976  0.746  0.304  1.0
  O  O7  1  0.524  0.247  0.800  1.0
  F  F8  1  0.100  0.302  0.069  1.0
  F  F9  1  0.395  0.802  0.570  1.0
  F  F10  1  0.353  0.097  0.262  1.0
  F  F11  1  0.150  0.596  0.765  1.0
  F  F12  1  0.702  0.406  0.248  1.0
  F  F13  1  0.795  0.906  0.749  1.0
  F  F14  1  0.440  0.778  0.149  1.0
  F  F15  1  0.061  0.279  0.646  1.0
  F  F16  1  0.742  0.163  0.469  1.0
  F  F17  1  0.760  0.663  0.969  1.0
  F  F18  1  0.320  0.544  0.383  1.0
  F  F19  1  0.181  0.044  0.881  1.0
  F  F20  1  0.741  0.961  0.161  1.0
  F  F21  1  0.761  0.462  0.658  1.0
[/CIF]
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The material structure described by LiV2OF7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(10), one F(14), one F(4), and one F(5) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(13), one F(2), one F(3), one F(6), and one F(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(14), one F(5), one F(8), and one F(9) atom to form corner-sharing VOF4 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one F(11), one F(2), one F(4), and one F(7) atom to form corner-sharing VOF4 trigonal bipyramids. In the third V site, V(3) is bonded to one O(1), one F(10), one F(13), one F(6), and one F(7) atom to form corner-sharing VOF4 trigonal bipyramids. In the fourth V site, V(4) is bonded to one O(2), one F(1), one F(12), one F(3), and one F(8) atom to form corner-sharing VOF4 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Li(1) and one V(4) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Li(2) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(2) and one V(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(2) and one V(3) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Li(1) and one V(3) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one V(2) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one V(4) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(2) and one V(3) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.664
_cell_length_b   10.974
_cell_length_c   5.725
_cell_angle_alpha   72.211
_cell_angle_beta   90.031
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   338.814
_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  0.869  0.506  0.936  1.0
  Li  Li1  1  0.631  0.006  0.436  1.0
  V  V2  1  0.734  0.311  0.567  1.0
  V  V3  1  0.253  0.685  0.458  1.0
  V  V4  1  0.767  0.811  0.068  1.0
  V  V5  1  0.245  0.186  0.956  1.0
  O  O6  1  0.976  0.746  0.304  1.0
  O  O7  1  0.524  0.247  0.800  1.0
  F  F8  1  0.100  0.302  0.069  1.0
  F  F9  1  0.395  0.802  0.570  1.0
  F  F10  1  0.353  0.097  0.262  1.0
  F  F11  1  0.150  0.596  0.765  1.0
  F  F12  1  0.702  0.406  0.248  1.0
  F  F13  1  0.795  0.906  0.749  1.0
  F  F14  1  0.440  0.778  0.149  1.0
  F  F15  1  0.061  0.279  0.646  1.0
  F  F16  1  0.742  0.163  0.469  1.0
  F  F17  1  0.760  0.663  0.969  1.0
  F  F18  1  0.320  0.544  0.383  1.0
  F  F19  1  0.181  0.044  0.881  1.0
  F  F20  1  0.741  0.961  0.161  1.0
  F  F21  1  0.761  0.462  0.658  1.0
[/CIF]
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