The crystal structure described by LiV2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with six equivalent V(1)F6 octahedra, and edges with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. V(1) is bonded to one F(1), two equivalent F(3), and three equivalent F(2) atoms to form VF6 octahedra that share corners with three equivalent Li(1)F6 octahedra, corners with four equivalent V(1)F6 octahedra,  an edgeedge with one V(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and  a faceface with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are three 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 distorted FLi2V2 trigonal pyramids that share corners with two equivalent F(1)Li2V2 trigonal pyramids, corners with two equivalent F(2)LiV3 trigonal pyramids, and edges with four equivalent F(2)LiV3 trigonal pyramids. In the second F site, F(2) is bonded to one Li(1) and three equivalent V(1) atoms to form FLiV3 trigonal pyramids that share  a cornercorner with one F(1)Li2V2 trigonal pyramid, corners with three equivalent F(2)LiV3 trigonal pyramids, edges with two equivalent F(1)Li2V2 trigonal pyramids, and edges with two equivalent F(2)LiV3 trigonal pyramids. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LiV2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.004
_cell_length_b   6.004
_cell_length_c   7.752
_cell_angle_alpha   68.957
_cell_angle_beta   68.957
_cell_angle_gamma   52.478
_symmetry_Int_Tables_number   1
_cell_volume   203.100
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  V  V2  1  0.626  0.621  0.285  1.0
  V  V3  1  0.621  0.626  0.785  1.0
  V  V4  1  0.379  0.374  0.215  1.0
  V  V5  1  0.374  0.379  0.715  1.0
  F  F6  1  0.796  0.204  0.750  1.0
  F  F7  1  0.743  0.422  0.055  1.0
  F  F8  1  0.966  0.664  0.650  1.0
  F  F9  1  0.664  0.966  0.150  1.0
  F  F10  1  0.422  0.743  0.555  1.0
  F  F11  1  0.204  0.796  0.250  1.0
  F  F12  1  0.578  0.257  0.445  1.0
  F  F13  1  0.336  0.034  0.850  1.0
  F  F14  1  0.034  0.336  0.350  1.0
  F  F15  1  0.257  0.578  0.945  1.0
[/CIF]
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The crystal structure described by LiV2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with six equivalent V(1)F6 octahedra, and edges with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. V(1) is bonded to one F(1), two equivalent F(3), and three equivalent F(2) atoms to form VF6 octahedra that share corners with three equivalent Li(1)F6 octahedra, corners with four equivalent V(1)F6 octahedra,  an edgeedge with one V(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and  a faceface with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are three 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 distorted FLi2V2 trigonal pyramids that share corners with two equivalent F(1)Li2V2 trigonal pyramids, corners with two equivalent F(2)LiV3 trigonal pyramids, and edges with four equivalent F(2)LiV3 trigonal pyramids. In the second F site, F(2) is bonded to one Li(1) and three equivalent V(1) atoms to form FLiV3 trigonal pyramids that share  a cornercorner with one F(1)Li2V2 trigonal pyramid, corners with three equivalent F(2)LiV3 trigonal pyramids, edges with two equivalent F(1)Li2V2 trigonal pyramids, and edges with two equivalent F(2)LiV3 trigonal pyramids. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LiV2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.004
_cell_length_b   6.004
_cell_length_c   7.752
_cell_angle_alpha   68.957
_cell_angle_beta   68.957
_cell_angle_gamma   52.478
_symmetry_Int_Tables_number   1
_cell_volume   203.100
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  V  V2  1  0.626  0.621  0.285  1.0
  V  V3  1  0.621  0.626  0.785  1.0
  V  V4  1  0.379  0.374  0.215  1.0
  V  V5  1  0.374  0.379  0.715  1.0
  F  F6  1  0.796  0.204  0.750  1.0
  F  F7  1  0.743  0.422  0.055  1.0
  F  F8  1  0.966  0.664  0.650  1.0
  F  F9  1  0.664  0.966  0.150  1.0
  F  F10  1  0.422  0.743  0.555  1.0
  F  F11  1  0.204  0.796  0.250  1.0
  F  F12  1  0.578  0.257  0.445  1.0
  F  F13  1  0.336  0.034  0.850  1.0
  F  F14  1  0.034  0.336  0.350  1.0
  F  F15  1  0.257  0.578  0.945  1.0
[/CIF]
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