The compound described by Li2VF6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms. In the second Li site, Li(2) is bonded to one F(2), one F(4), one F(5), one F(6), and two equivalent F(1) atoms to form LiF6 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with four equivalent V(1)F6 octahedra, and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form VF6 octahedra that share corners with four equivalent Li(2)F6 octahedra and  an edgeedge with one Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(2) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.918
_cell_length_b   8.453
_cell_length_c   9.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   387.397
_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  0.494  0.447  0.105  1.0
  Li  Li1  1  0.012  0.884  0.104  1.0
  Li  Li2  1  0.512  0.384  0.396  1.0
  Li  Li3  1  0.994  0.947  0.395  1.0
  Li  Li4  1  0.494  0.053  0.605  1.0
  Li  Li5  1  0.012  0.616  0.604  1.0
  Li  Li6  1  0.512  0.116  0.896  1.0
  Li  Li7  1  0.994  0.553  0.895  1.0
  V  V8  1  1.000  0.244  0.135  1.0
  V  V9  1  0.500  0.744  0.365  1.0
  V  V10  1  1.000  0.256  0.635  1.0
  V  V11  1  0.500  0.756  0.865  1.0
  F  F12  1  0.839  0.095  0.017  1.0
  F  F13  1  0.310  0.254  0.017  1.0
  F  F14  1  0.840  0.406  0.023  1.0
  F  F15  1  0.126  0.070  0.237  1.0
  F  F16  1  0.695  0.257  0.248  1.0
  F  F17  1  0.690  0.885  0.257  1.0
  F  F18  1  0.190  0.385  0.243  1.0
  F  F19  1  0.195  0.757  0.252  1.0
  F  F20  1  0.626  0.570  0.263  1.0
  F  F21  1  0.340  0.906  0.477  1.0
  F  F22  1  0.810  0.754  0.483  1.0
  F  F23  1  0.339  0.595  0.483  1.0
  F  F24  1  0.839  0.405  0.517  1.0
  F  F25  1  0.310  0.246  0.517  1.0
  F  F26  1  0.840  0.094  0.523  1.0
  F  F27  1  0.126  0.430  0.737  1.0
  F  F28  1  0.695  0.243  0.748  1.0
  F  F29  1  0.690  0.615  0.757  1.0
  F  F30  1  0.190  0.115  0.743  1.0
  F  F31  1  0.195  0.743  0.752  1.0
  F  F32  1  0.626  0.930  0.763  1.0
  F  F33  1  0.340  0.594  0.977  1.0
  F  F34  1  0.810  0.746  0.983  1.0
  F  F35  1  0.339  0.905  0.983  1.0
[/CIF]
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The compound described by Li2VF6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms. In the second Li site, Li(2) is bonded to one F(2), one F(4), one F(5), one F(6), and two equivalent F(1) atoms to form LiF6 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with four equivalent V(1)F6 octahedra, and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form VF6 octahedra that share corners with four equivalent Li(2)F6 octahedra and  an edgeedge with one Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(2) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.918
_cell_length_b   8.453
_cell_length_c   9.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   387.397
_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  0.494  0.447  0.105  1.0
  Li  Li1  1  0.012  0.884  0.104  1.0
  Li  Li2  1  0.512  0.384  0.396  1.0
  Li  Li3  1  0.994  0.947  0.395  1.0
  Li  Li4  1  0.494  0.053  0.605  1.0
  Li  Li5  1  0.012  0.616  0.604  1.0
  Li  Li6  1  0.512  0.116  0.896  1.0
  Li  Li7  1  0.994  0.553  0.895  1.0
  V  V8  1  1.000  0.244  0.135  1.0
  V  V9  1  0.500  0.744  0.365  1.0
  V  V10  1  1.000  0.256  0.635  1.0
  V  V11  1  0.500  0.756  0.865  1.0
  F  F12  1  0.839  0.095  0.017  1.0
  F  F13  1  0.310  0.254  0.017  1.0
  F  F14  1  0.840  0.406  0.023  1.0
  F  F15  1  0.126  0.070  0.237  1.0
  F  F16  1  0.695  0.257  0.248  1.0
  F  F17  1  0.690  0.885  0.257  1.0
  F  F18  1  0.190  0.385  0.243  1.0
  F  F19  1  0.195  0.757  0.252  1.0
  F  F20  1  0.626  0.570  0.263  1.0
  F  F21  1  0.340  0.906  0.477  1.0
  F  F22  1  0.810  0.754  0.483  1.0
  F  F23  1  0.339  0.595  0.483  1.0
  F  F24  1  0.839  0.405  0.517  1.0
  F  F25  1  0.310  0.246  0.517  1.0
  F  F26  1  0.840  0.094  0.523  1.0
  F  F27  1  0.126  0.430  0.737  1.0
  F  F28  1  0.695  0.243  0.748  1.0
  F  F29  1  0.690  0.615  0.757  1.0
  F  F30  1  0.190  0.115  0.743  1.0
  F  F31  1  0.195  0.743  0.752  1.0
  F  F32  1  0.626  0.930  0.763  1.0
  F  F33  1  0.340  0.594  0.977  1.0
  F  F34  1  0.810  0.746  0.983  1.0
  F  F35  1  0.339  0.905  0.983  1.0
[/CIF]
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