The material structure described by LiV3F10 crystallizes in the orthorhombic Pmma space group. Li(1) is bonded in a bent 120 degrees geometry to two equivalent F(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent V(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 15°. In the second V site, V(2) is bonded to one F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form VF7 pentagonal bipyramids that share corners with two equivalent V(1)F6 octahedra, corners with three equivalent V(2)F7 pentagonal bipyramids, and  an edgeedge with one V(2)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 37°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a linear geometry to two equivalent V(2) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_LiV3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   7.458
_cell_length_c   7.884
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.956
_cell_formula_units_Z   2
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  0.317  0.000  0.250  1.0
  Li  Li1  1  0.683  0.000  0.750  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.000  0.235  0.500  1.0
  V  V5  1  0.000  0.235  0.000  1.0
  V  V6  1  0.000  0.765  0.500  1.0
  V  V7  1  0.000  0.765  0.000  1.0
  F  F8  1  0.461  0.500  0.750  1.0
  F  F9  1  0.539  0.500  0.250  1.0
  F  F10  1  0.000  0.500  0.000  1.0
  F  F11  1  0.301  0.301  0.029  1.0
  F  F12  1  0.699  0.301  0.971  1.0
  F  F13  1  0.301  0.301  0.471  1.0
  F  F14  1  0.699  0.301  0.529  1.0
  F  F15  1  0.952  0.231  0.250  1.0
  F  F16  1  0.048  0.231  0.750  1.0
  F  F17  1  0.166  0.000  0.450  1.0
  F  F18  1  0.834  0.000  0.550  1.0
  F  F19  1  0.166  0.000  0.050  1.0
  F  F20  1  0.834  0.000  0.950  1.0
  F  F21  1  0.048  0.769  0.750  1.0
  F  F22  1  0.952  0.769  0.250  1.0
  F  F23  1  0.301  0.699  0.029  1.0
  F  F24  1  0.699  0.699  0.971  1.0
  F  F25  1  0.301  0.699  0.471  1.0
  F  F26  1  0.699  0.699  0.529  1.0
  F  F27  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by LiV3F10 crystallizes in the orthorhombic Pmma space group. Li(1) is bonded in a bent 120 degrees geometry to two equivalent F(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent V(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 15°. In the second V site, V(2) is bonded to one F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form VF7 pentagonal bipyramids that share corners with two equivalent V(1)F6 octahedra, corners with three equivalent V(2)F7 pentagonal bipyramids, and  an edgeedge with one V(2)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 37°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a linear geometry to two equivalent V(2) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_LiV3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   7.458
_cell_length_c   7.884
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.956
_cell_formula_units_Z   2
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  0.317  0.000  0.250  1.0
  Li  Li1  1  0.683  0.000  0.750  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.000  0.235  0.500  1.0
  V  V5  1  0.000  0.235  0.000  1.0
  V  V6  1  0.000  0.765  0.500  1.0
  V  V7  1  0.000  0.765  0.000  1.0
  F  F8  1  0.461  0.500  0.750  1.0
  F  F9  1  0.539  0.500  0.250  1.0
  F  F10  1  0.000  0.500  0.000  1.0
  F  F11  1  0.301  0.301  0.029  1.0
  F  F12  1  0.699  0.301  0.971  1.0
  F  F13  1  0.301  0.301  0.471  1.0
  F  F14  1  0.699  0.301  0.529  1.0
  F  F15  1  0.952  0.231  0.250  1.0
  F  F16  1  0.048  0.231  0.750  1.0
  F  F17  1  0.166  0.000  0.450  1.0
  F  F18  1  0.834  0.000  0.550  1.0
  F  F19  1  0.166  0.000  0.050  1.0
  F  F20  1  0.834  0.000  0.950  1.0
  F  F21  1  0.048  0.769  0.750  1.0
  F  F22  1  0.952  0.769  0.250  1.0
  F  F23  1  0.301  0.699  0.029  1.0
  F  F24  1  0.699  0.699  0.971  1.0
  F  F25  1  0.301  0.699  0.471  1.0
  F  F26  1  0.699  0.699  0.529  1.0
  F  F27  1  0.000  0.500  0.500  1.0
[/CIF]
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