The material structure described by LiV2F7 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(5) atoms to form distorted LiF6 octahedra that share corners with four equivalent V(1)F7 pentagonal bipyramids and edges with four equivalent V(1)F7 pentagonal bipyramids. V(1) is bonded to one F(2), one F(3), one F(4), two equivalent F(1), and two equivalent F(5) atoms to form VF7 pentagonal bipyramids that share corners with two equivalent Li(1)F6 octahedra, corners with three equivalent V(1)F7 pentagonal bipyramids, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent V(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-70°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.403
_cell_length_b   7.459
_cell_length_c   11.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   472.245
_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  0.384  0.250  0.650  1.0
  Li  Li1  1  0.884  0.750  0.850  1.0
  Li  Li2  1  0.116  0.250  0.150  1.0
  Li  Li3  1  0.616  0.750  0.350  1.0
  V  V4  1  0.875  0.478  0.626  1.0
  V  V5  1  0.875  0.022  0.626  1.0
  V  V6  1  0.375  0.522  0.874  1.0
  V  V7  1  0.375  0.978  0.874  1.0
  V  V8  1  0.625  0.478  0.126  1.0
  V  V9  1  0.625  0.022  0.126  1.0
  V  V10  1  0.125  0.522  0.374  1.0
  V  V11  1  0.125  0.978  0.374  1.0
  F  F12  1  0.204  0.024  0.542  1.0
  F  F13  1  0.204  0.476  0.542  1.0
  F  F14  1  0.690  0.250  0.566  1.0
  F  F15  1  0.826  0.750  0.626  1.0
  F  F16  1  0.035  0.250  0.684  1.0
  F  F17  1  0.559  0.452  0.728  1.0
  F  F18  1  0.559  0.048  0.728  1.0
  F  F19  1  0.059  0.548  0.772  1.0
  F  F20  1  0.059  0.952  0.772  1.0
  F  F21  1  0.535  0.750  0.816  1.0
  F  F22  1  0.326  0.250  0.874  1.0
  F  F23  1  0.190  0.750  0.934  1.0
  F  F24  1  0.704  0.976  0.958  1.0
  F  F25  1  0.704  0.524  0.958  1.0
  F  F26  1  0.296  0.024  0.042  1.0
  F  F27  1  0.296  0.476  0.042  1.0
  F  F28  1  0.810  0.250  0.066  1.0
  F  F29  1  0.674  0.750  0.126  1.0
  F  F30  1  0.465  0.250  0.184  1.0
  F  F31  1  0.941  0.452  0.228  1.0
  F  F32  1  0.941  0.048  0.228  1.0
  F  F33  1  0.441  0.548  0.272  1.0
  F  F34  1  0.441  0.952  0.272  1.0
  F  F35  1  0.965  0.750  0.316  1.0
  F  F36  1  0.174  0.250  0.374  1.0
  F  F37  1  0.310  0.750  0.434  1.0
  F  F38  1  0.796  0.976  0.458  1.0
  F  F39  1  0.796  0.524  0.458  1.0
[/CIF]
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The material structure described by LiV2F7 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(5) atoms to form distorted LiF6 octahedra that share corners with four equivalent V(1)F7 pentagonal bipyramids and edges with four equivalent V(1)F7 pentagonal bipyramids. V(1) is bonded to one F(2), one F(3), one F(4), two equivalent F(1), and two equivalent F(5) atoms to form VF7 pentagonal bipyramids that share corners with two equivalent Li(1)F6 octahedra, corners with three equivalent V(1)F7 pentagonal bipyramids, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent V(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-70°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.403
_cell_length_b   7.459
_cell_length_c   11.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   472.245
_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  0.384  0.250  0.650  1.0
  Li  Li1  1  0.884  0.750  0.850  1.0
  Li  Li2  1  0.116  0.250  0.150  1.0
  Li  Li3  1  0.616  0.750  0.350  1.0
  V  V4  1  0.875  0.478  0.626  1.0
  V  V5  1  0.875  0.022  0.626  1.0
  V  V6  1  0.375  0.522  0.874  1.0
  V  V7  1  0.375  0.978  0.874  1.0
  V  V8  1  0.625  0.478  0.126  1.0
  V  V9  1  0.625  0.022  0.126  1.0
  V  V10  1  0.125  0.522  0.374  1.0
  V  V11  1  0.125  0.978  0.374  1.0
  F  F12  1  0.204  0.024  0.542  1.0
  F  F13  1  0.204  0.476  0.542  1.0
  F  F14  1  0.690  0.250  0.566  1.0
  F  F15  1  0.826  0.750  0.626  1.0
  F  F16  1  0.035  0.250  0.684  1.0
  F  F17  1  0.559  0.452  0.728  1.0
  F  F18  1  0.559  0.048  0.728  1.0
  F  F19  1  0.059  0.548  0.772  1.0
  F  F20  1  0.059  0.952  0.772  1.0
  F  F21  1  0.535  0.750  0.816  1.0
  F  F22  1  0.326  0.250  0.874  1.0
  F  F23  1  0.190  0.750  0.934  1.0
  F  F24  1  0.704  0.976  0.958  1.0
  F  F25  1  0.704  0.524  0.958  1.0
  F  F26  1  0.296  0.024  0.042  1.0
  F  F27  1  0.296  0.476  0.042  1.0
  F  F28  1  0.810  0.250  0.066  1.0
  F  F29  1  0.674  0.750  0.126  1.0
  F  F30  1  0.465  0.250  0.184  1.0
  F  F31  1  0.941  0.452  0.228  1.0
  F  F32  1  0.941  0.048  0.228  1.0
  F  F33  1  0.441  0.548  0.272  1.0
  F  F34  1  0.441  0.952  0.272  1.0
  F  F35  1  0.965  0.750  0.316  1.0
  F  F36  1  0.174  0.250  0.374  1.0
  F  F37  1  0.310  0.750  0.434  1.0
  F  F38  1  0.796  0.976  0.458  1.0
  F  F39  1  0.796  0.524  0.458  1.0
[/CIF]
.