The compound described by Li2VOF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent F(2), and three equivalent F(1) atoms. V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 43°. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to three equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   5.813
_cell_length_c   6.909
_cell_angle_alpha   108.432
_cell_angle_beta   90.003
_cell_angle_gamma   116.050
_symmetry_Int_Tables_number   1
_cell_volume   172.489
_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
  F  F0  1  0.762  0.173  0.961  1.0
  F  F1  1  0.411  0.173  0.461  1.0
  F  F2  1  0.589  0.827  0.539  1.0
  F  F3  1  0.238  0.827  0.039  1.0
  F  F4  1  0.018  0.355  0.640  1.0
  F  F5  1  0.663  0.645  0.860  1.0
  F  F6  1  0.337  0.355  0.140  1.0
  F  F7  1  0.982  0.645  0.360  1.0
  Li  Li8  1  0.643  0.288  0.745  1.0
  Li  Li9  1  0.646  0.288  0.245  1.0
  Li  Li10  1  0.354  0.712  0.755  1.0
  Li  Li11  1  0.357  0.712  0.255  1.0
  O  O12  1  0.135  1.000  0.750  1.0
  O  O13  1  0.865  0.000  0.250  1.0
  V  V14  1  1.000  0.000  0.500  1.0
  V  V15  1  1.000  1.000  1.000  1.0
[/CIF]
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The compound described by Li2VOF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent F(2), and three equivalent F(1) atoms. V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 43°. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to three equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   5.813
_cell_length_c   6.909
_cell_angle_alpha   108.432
_cell_angle_beta   90.003
_cell_angle_gamma   116.050
_symmetry_Int_Tables_number   1
_cell_volume   172.489
_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
  F  F0  1  0.762  0.173  0.961  1.0
  F  F1  1  0.411  0.173  0.461  1.0
  F  F2  1  0.589  0.827  0.539  1.0
  F  F3  1  0.238  0.827  0.039  1.0
  F  F4  1  0.018  0.355  0.640  1.0
  F  F5  1  0.663  0.645  0.860  1.0
  F  F6  1  0.337  0.355  0.140  1.0
  F  F7  1  0.982  0.645  0.360  1.0
  Li  Li8  1  0.643  0.288  0.745  1.0
  Li  Li9  1  0.646  0.288  0.245  1.0
  Li  Li10  1  0.354  0.712  0.755  1.0
  Li  Li11  1  0.357  0.712  0.255  1.0
  O  O12  1  0.135  1.000  0.750  1.0
  O  O13  1  0.865  0.000  0.250  1.0
  V  V14  1  1.000  0.000  0.500  1.0
  V  V15  1  1.000  1.000  1.000  1.0
[/CIF]
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