The material structure described by LiVF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(3), two equivalent F(1), and two equivalent F(2) atoms. V(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form distorted edge-sharing VF6 octahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing FLi2V2 trigonal pyramids. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to two equivalent 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 water-like geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.271
_cell_length_c   10.833
_cell_angle_alpha   67.425
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.558
_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  0.607  0.622  0.716  1.0
  Li  Li1  1  0.107  0.378  0.784  1.0
  Li  Li2  1  0.893  0.622  0.216  1.0
  Li  Li3  1  0.393  0.378  0.284  1.0
  V  V4  1  0.654  0.237  0.005  1.0
  V  V5  1  0.154  0.763  0.495  1.0
  V  V6  1  0.846  0.237  0.505  1.0
  V  V7  1  0.346  0.763  0.995  1.0
  F  F8  1  0.409  0.528  0.890  1.0
  F  F9  1  0.850  0.480  0.865  1.0
  F  F10  1  0.368  0.998  0.384  1.0
  F  F11  1  0.918  0.045  0.388  1.0
  F  F12  1  0.350  0.520  0.635  1.0
  F  F13  1  0.909  0.472  0.610  1.0
  F  F14  1  0.418  0.955  0.112  1.0
  F  F15  1  0.868  0.002  0.116  1.0
  F  F16  1  0.132  0.998  0.884  1.0
  F  F17  1  0.582  0.045  0.888  1.0
  F  F18  1  0.091  0.528  0.390  1.0
  F  F19  1  0.650  0.480  0.365  1.0
  F  F20  1  0.082  0.955  0.612  1.0
  F  F21  1  0.632  0.002  0.616  1.0
  F  F22  1  0.150  0.520  0.135  1.0
  F  F23  1  0.591  0.472  0.110  1.0
[/CIF]
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The material structure described by LiVF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(3), two equivalent F(1), and two equivalent F(2) atoms. V(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form distorted edge-sharing VF6 octahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing FLi2V2 trigonal pyramids. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to two equivalent 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 water-like geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.271
_cell_length_c   10.833
_cell_angle_alpha   67.425
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.558
_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  0.607  0.622  0.716  1.0
  Li  Li1  1  0.107  0.378  0.784  1.0
  Li  Li2  1  0.893  0.622  0.216  1.0
  Li  Li3  1  0.393  0.378  0.284  1.0
  V  V4  1  0.654  0.237  0.005  1.0
  V  V5  1  0.154  0.763  0.495  1.0
  V  V6  1  0.846  0.237  0.505  1.0
  V  V7  1  0.346  0.763  0.995  1.0
  F  F8  1  0.409  0.528  0.890  1.0
  F  F9  1  0.850  0.480  0.865  1.0
  F  F10  1  0.368  0.998  0.384  1.0
  F  F11  1  0.918  0.045  0.388  1.0
  F  F12  1  0.350  0.520  0.635  1.0
  F  F13  1  0.909  0.472  0.610  1.0
  F  F14  1  0.418  0.955  0.112  1.0
  F  F15  1  0.868  0.002  0.116  1.0
  F  F16  1  0.132  0.998  0.884  1.0
  F  F17  1  0.582  0.045  0.888  1.0
  F  F18  1  0.091  0.528  0.390  1.0
  F  F19  1  0.650  0.480  0.365  1.0
  F  F20  1  0.082  0.955  0.612  1.0
  F  F21  1  0.632  0.002  0.616  1.0
  F  F22  1  0.150  0.520  0.135  1.0
  F  F23  1  0.591  0.472  0.110  1.0
[/CIF]
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