The crystal structure described by LiVF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. V(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two 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. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   7.329
_cell_length_c   7.994
_cell_angle_alpha   75.396
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.629
_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  0.796  0.998  0.144  1.0
  Li  Li1  1  0.704  0.498  0.144  1.0
  Li  Li2  1  0.296  0.502  0.856  1.0
  Li  Li3  1  0.204  0.002  0.856  1.0
  V  V4  1  0.276  0.766  0.329  1.0
  V  V5  1  0.224  0.266  0.329  1.0
  V  V6  1  0.776  0.734  0.671  1.0
  V  V7  1  0.724  0.234  0.671  1.0
  F  F8  1  0.119  0.874  0.110  1.0
  F  F9  1  0.381  0.374  0.110  1.0
  F  F10  1  0.592  0.732  0.209  1.0
  F  F11  1  0.908  0.232  0.209  1.0
  F  F12  1  0.100  0.523  0.325  1.0
  F  F13  1  0.950  0.830  0.443  1.0
  F  F14  1  0.400  0.023  0.325  1.0
  F  F15  1  0.550  0.330  0.443  1.0
  F  F16  1  0.450  0.670  0.557  1.0
  F  F17  1  0.600  0.977  0.675  1.0
  F  F18  1  0.050  0.170  0.557  1.0
  F  F19  1  0.900  0.477  0.675  1.0
  F  F20  1  0.092  0.768  0.791  1.0
  F  F21  1  0.408  0.268  0.791  1.0
  F  F22  1  0.619  0.626  0.890  1.0
  F  F23  1  0.881  0.126  0.890  1.0
[/CIF]
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The crystal structure described by LiVF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. V(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two 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. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   7.329
_cell_length_c   7.994
_cell_angle_alpha   75.396
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.629
_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  0.796  0.998  0.144  1.0
  Li  Li1  1  0.704  0.498  0.144  1.0
  Li  Li2  1  0.296  0.502  0.856  1.0
  Li  Li3  1  0.204  0.002  0.856  1.0
  V  V4  1  0.276  0.766  0.329  1.0
  V  V5  1  0.224  0.266  0.329  1.0
  V  V6  1  0.776  0.734  0.671  1.0
  V  V7  1  0.724  0.234  0.671  1.0
  F  F8  1  0.119  0.874  0.110  1.0
  F  F9  1  0.381  0.374  0.110  1.0
  F  F10  1  0.592  0.732  0.209  1.0
  F  F11  1  0.908  0.232  0.209  1.0
  F  F12  1  0.100  0.523  0.325  1.0
  F  F13  1  0.950  0.830  0.443  1.0
  F  F14  1  0.400  0.023  0.325  1.0
  F  F15  1  0.550  0.330  0.443  1.0
  F  F16  1  0.450  0.670  0.557  1.0
  F  F17  1  0.600  0.977  0.675  1.0
  F  F18  1  0.050  0.170  0.557  1.0
  F  F19  1  0.900  0.477  0.675  1.0
  F  F20  1  0.092  0.768  0.791  1.0
  F  F21  1  0.408  0.268  0.791  1.0
  F  F22  1  0.619  0.626  0.890  1.0
  F  F23  1  0.881  0.126  0.890  1.0
[/CIF]
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