The crystal structure described by LiV2F9 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one F(1), one F(2), one F(3), one F(5), and one F(9) atom to form distorted LiF5 trigonal bipyramids that share corners with three equivalent V(1)F6 octahedra and corners with two equivalent V(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-41°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(2), one F(3), one F(4), one F(5), one F(6), and one F(8) atom to form VF6 octahedra that share corners with two equivalent V(2)F5 trigonal bipyramids and corners with three equivalent Li(1)F5 trigonal bipyramids. In the second V site, V(2) is bonded to one F(1), one F(4), one F(7), one F(8), and one F(9) atom to form VF5 trigonal bipyramids that share corners with two equivalent V(1)F6 octahedra and corners with two equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-25°. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one V(1) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one V(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. is represented by the CIF file [CIF]
data_LiV2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.034
_cell_length_b   8.489
_cell_length_c   8.919
_cell_angle_alpha   111.772
_cell_angle_beta   93.059
_cell_angle_gamma   100.241
_symmetry_Int_Tables_number   1
_cell_volume   345.353
_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  0.959  0.612  0.865  1.0
  Li  Li1  1  0.041  0.388  0.135  1.0
  V  V2  1  0.314  0.256  0.756  1.0
  V  V3  1  0.593  0.213  0.335  1.0
  V  V4  1  0.407  0.787  0.665  1.0
  V  V5  1  0.686  0.744  0.244  1.0
  F  F6  1  0.336  0.310  0.283  1.0
  F  F7  1  0.786  0.730  0.044  1.0
  F  F8  1  0.790  0.540  0.224  1.0
  F  F9  1  0.426  0.222  0.530  1.0
  F  F10  1  0.669  0.365  0.837  1.0
  F  F11  1  0.999  0.886  0.350  1.0
  F  F12  1  0.100  0.672  0.537  1.0
  F  F13  1  0.450  0.027  0.726  1.0
  F  F14  1  0.756  0.197  0.151  1.0
  F  F15  1  0.244  0.803  0.849  1.0
  F  F16  1  0.550  0.973  0.274  1.0
  F  F17  1  0.900  0.328  0.463  1.0
  F  F18  1  0.001  0.114  0.650  1.0
  F  F19  1  0.331  0.635  0.163  1.0
  F  F20  1  0.574  0.778  0.470  1.0
  F  F21  1  0.210  0.460  0.776  1.0
  F  F22  1  0.214  0.270  0.956  1.0
  F  F23  1  0.664  0.690  0.717  1.0
[/CIF]
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The crystal structure described by LiV2F9 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one F(1), one F(2), one F(3), one F(5), and one F(9) atom to form distorted LiF5 trigonal bipyramids that share corners with three equivalent V(1)F6 octahedra and corners with two equivalent V(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-41°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(2), one F(3), one F(4), one F(5), one F(6), and one F(8) atom to form VF6 octahedra that share corners with two equivalent V(2)F5 trigonal bipyramids and corners with three equivalent Li(1)F5 trigonal bipyramids. In the second V site, V(2) is bonded to one F(1), one F(4), one F(7), one F(8), and one F(9) atom to form VF5 trigonal bipyramids that share corners with two equivalent V(1)F6 octahedra and corners with two equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-25°. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one V(1) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one V(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. is represented by the CIF file [CIF]
data_LiV2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.034
_cell_length_b   8.489
_cell_length_c   8.919
_cell_angle_alpha   111.772
_cell_angle_beta   93.059
_cell_angle_gamma   100.241
_symmetry_Int_Tables_number   1
_cell_volume   345.353
_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  0.959  0.612  0.865  1.0
  Li  Li1  1  0.041  0.388  0.135  1.0
  V  V2  1  0.314  0.256  0.756  1.0
  V  V3  1  0.593  0.213  0.335  1.0
  V  V4  1  0.407  0.787  0.665  1.0
  V  V5  1  0.686  0.744  0.244  1.0
  F  F6  1  0.336  0.310  0.283  1.0
  F  F7  1  0.786  0.730  0.044  1.0
  F  F8  1  0.790  0.540  0.224  1.0
  F  F9  1  0.426  0.222  0.530  1.0
  F  F10  1  0.669  0.365  0.837  1.0
  F  F11  1  0.999  0.886  0.350  1.0
  F  F12  1  0.100  0.672  0.537  1.0
  F  F13  1  0.450  0.027  0.726  1.0
  F  F14  1  0.756  0.197  0.151  1.0
  F  F15  1  0.244  0.803  0.849  1.0
  F  F16  1  0.550  0.973  0.274  1.0
  F  F17  1  0.900  0.328  0.463  1.0
  F  F18  1  0.001  0.114  0.650  1.0
  F  F19  1  0.331  0.635  0.163  1.0
  F  F20  1  0.574  0.778  0.470  1.0
  F  F21  1  0.210  0.460  0.776  1.0
  F  F22  1  0.214  0.270  0.956  1.0
  F  F23  1  0.664  0.690  0.717  1.0
[/CIF]
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