The material described by LiVF5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms. V(1) is bonded to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form distorted edge-sharing VF7 pentagonal bipyramids. There are five 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 trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a linear geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LiVF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.057
_cell_length_b   5.226
_cell_length_c   6.646
_cell_angle_alpha   73.485
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.869
_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  0.743  0.945  0.884  1.0
  Li  Li1  1  0.757  0.945  0.384  1.0
  Li  Li2  1  0.243  0.055  0.616  1.0
  Li  Li3  1  0.257  0.055  0.116  1.0
  V  V4  1  0.969  0.554  0.744  1.0
  V  V5  1  0.469  0.446  0.756  1.0
  V  V6  1  0.531  0.554  0.244  1.0
  V  V7  1  0.031  0.446  0.256  1.0
  F  F8  1  0.084  0.843  0.695  1.0
  F  F9  1  0.824  0.783  0.675  1.0
  F  F10  1  0.365  0.752  0.689  1.0
  F  F11  1  0.592  0.603  0.903  1.0
  F  F12  1  0.416  0.843  0.195  1.0
  F  F13  1  0.676  0.783  0.175  1.0
  F  F14  1  0.135  0.752  0.189  1.0
  F  F15  1  0.589  0.628  0.521  1.0
  F  F16  1  0.089  0.372  0.979  1.0
  F  F17  1  0.908  0.603  0.403  1.0
  F  F18  1  0.092  0.397  0.597  1.0
  F  F19  1  0.911  0.628  0.021  1.0
  F  F20  1  0.411  0.372  0.479  1.0
  F  F21  1  0.865  0.248  0.811  1.0
  F  F22  1  0.324  0.217  0.825  1.0
  F  F23  1  0.584  0.157  0.805  1.0
  F  F24  1  0.408  0.397  0.097  1.0
  F  F25  1  0.635  0.248  0.311  1.0
  F  F26  1  0.176  0.217  0.325  1.0
  F  F27  1  0.916  0.157  0.305  1.0
[/CIF]
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The material described by LiVF5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms. V(1) is bonded to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form distorted edge-sharing VF7 pentagonal bipyramids. There are five 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 trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a linear geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LiVF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.057
_cell_length_b   5.226
_cell_length_c   6.646
_cell_angle_alpha   73.485
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.869
_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  0.743  0.945  0.884  1.0
  Li  Li1  1  0.757  0.945  0.384  1.0
  Li  Li2  1  0.243  0.055  0.616  1.0
  Li  Li3  1  0.257  0.055  0.116  1.0
  V  V4  1  0.969  0.554  0.744  1.0
  V  V5  1  0.469  0.446  0.756  1.0
  V  V6  1  0.531  0.554  0.244  1.0
  V  V7  1  0.031  0.446  0.256  1.0
  F  F8  1  0.084  0.843  0.695  1.0
  F  F9  1  0.824  0.783  0.675  1.0
  F  F10  1  0.365  0.752  0.689  1.0
  F  F11  1  0.592  0.603  0.903  1.0
  F  F12  1  0.416  0.843  0.195  1.0
  F  F13  1  0.676  0.783  0.175  1.0
  F  F14  1  0.135  0.752  0.189  1.0
  F  F15  1  0.589  0.628  0.521  1.0
  F  F16  1  0.089  0.372  0.979  1.0
  F  F17  1  0.908  0.603  0.403  1.0
  F  F18  1  0.092  0.397  0.597  1.0
  F  F19  1  0.911  0.628  0.021  1.0
  F  F20  1  0.411  0.372  0.479  1.0
  F  F21  1  0.865  0.248  0.811  1.0
  F  F22  1  0.324  0.217  0.825  1.0
  F  F23  1  0.584  0.157  0.805  1.0
  F  F24  1  0.408  0.397  0.097  1.0
  F  F25  1  0.635  0.248  0.311  1.0
  F  F26  1  0.176  0.217  0.325  1.0
  F  F27  1  0.916  0.157  0.305  1.0
[/CIF]
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