The structure described by LiVOF3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), and two equivalent F(3) atoms. V(1) is bonded to two equivalent O(1), one F(1), one F(2), and one F(3) atom to form edge-sharing VO2F3 trigonal bipyramids. O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.846
_cell_length_b   5.265
_cell_length_c   9.168
_cell_angle_alpha   72.930
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.021
_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  0.459  0.660  0.863  1.0
  Li  Li1  1  0.041  0.660  0.363  1.0
  Li  Li2  1  0.959  0.340  0.637  1.0
  Li  Li3  1  0.541  0.340  0.137  1.0
  V  V4  1  0.659  0.876  0.548  1.0
  V  V5  1  0.841  0.876  0.048  1.0
  V  V6  1  0.159  0.124  0.952  1.0
  V  V7  1  0.341  0.124  0.452  1.0
  O  O8  1  0.951  0.950  0.879  1.0
  O  O9  1  0.549  0.950  0.379  1.0
  O  O10  1  0.451  0.050  0.621  1.0
  O  O11  1  0.049  0.050  0.121  1.0
  F  F12  1  0.287  0.849  0.926  1.0
  F  F13  1  0.213  0.849  0.426  1.0
  F  F14  1  0.604  0.582  0.712  1.0
  F  F15  1  0.861  0.694  0.512  1.0
  F  F16  1  0.361  0.306  0.988  1.0
  F  F17  1  0.104  0.418  0.788  1.0
  F  F18  1  0.896  0.582  0.212  1.0
  F  F19  1  0.639  0.694  0.012  1.0
  F  F20  1  0.139  0.306  0.488  1.0
  F  F21  1  0.396  0.418  0.288  1.0
  F  F22  1  0.787  0.151  0.574  1.0
  F  F23  1  0.713  0.151  0.074  1.0
[/CIF]
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The structure described by LiVOF3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), and two equivalent F(3) atoms. V(1) is bonded to two equivalent O(1), one F(1), one F(2), and one F(3) atom to form edge-sharing VO2F3 trigonal bipyramids. O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.846
_cell_length_b   5.265
_cell_length_c   9.168
_cell_angle_alpha   72.930
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.021
_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  0.459  0.660  0.863  1.0
  Li  Li1  1  0.041  0.660  0.363  1.0
  Li  Li2  1  0.959  0.340  0.637  1.0
  Li  Li3  1  0.541  0.340  0.137  1.0
  V  V4  1  0.659  0.876  0.548  1.0
  V  V5  1  0.841  0.876  0.048  1.0
  V  V6  1  0.159  0.124  0.952  1.0
  V  V7  1  0.341  0.124  0.452  1.0
  O  O8  1  0.951  0.950  0.879  1.0
  O  O9  1  0.549  0.950  0.379  1.0
  O  O10  1  0.451  0.050  0.621  1.0
  O  O11  1  0.049  0.050  0.121  1.0
  F  F12  1  0.287  0.849  0.926  1.0
  F  F13  1  0.213  0.849  0.426  1.0
  F  F14  1  0.604  0.582  0.712  1.0
  F  F15  1  0.861  0.694  0.512  1.0
  F  F16  1  0.361  0.306  0.988  1.0
  F  F17  1  0.104  0.418  0.788  1.0
  F  F18  1  0.896  0.582  0.212  1.0
  F  F19  1  0.639  0.694  0.012  1.0
  F  F20  1  0.139  0.306  0.488  1.0
  F  F21  1  0.396  0.418  0.288  1.0
  F  F22  1  0.787  0.151  0.574  1.0
  F  F23  1  0.713  0.151  0.074  1.0
[/CIF]
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