The material described by LiV2F7 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(5), one F(6), and one F(7) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form a mixture of distorted corner and edge-sharing VF7 hexagonal pyramids. In the second V site, V(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form a mixture of distorted corner and edge-sharing VF7 hexagonal pyramids. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_LiV2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.914
_cell_length_b   4.914
_cell_length_c   10.649
_cell_angle_alpha   82.675
_cell_angle_beta   82.675
_cell_angle_gamma   82.693
_symmetry_Int_Tables_number   1
_cell_volume   251.373
_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  0.737  0.358  0.016  1.0
  Li  Li1  1  0.358  0.737  0.516  1.0
  V  V2  1  0.265  0.283  0.252  1.0
  V  V3  1  0.283  0.265  0.752  1.0
  V  V4  1  0.722  0.728  0.251  1.0
  V  V5  1  0.728  0.722  0.751  1.0
  F  F6  1  0.569  0.061  0.133  1.0
  F  F7  1  0.489  0.994  0.369  1.0
  F  F8  1  0.965  0.037  0.750  1.0
  F  F9  1  0.945  0.448  0.365  1.0
  F  F10  1  0.489  0.566  0.140  1.0
  F  F11  1  0.997  0.493  0.132  1.0
  F  F12  1  0.436  0.510  0.365  1.0
  F  F13  1  0.566  0.489  0.640  1.0
  F  F14  1  0.994  0.489  0.869  1.0
  F  F15  1  0.510  0.436  0.865  1.0
  F  F16  1  0.061  0.569  0.633  1.0
  F  F17  1  0.037  0.965  0.250  1.0
  F  F18  1  0.493  0.997  0.632  1.0
  F  F19  1  0.448  0.945  0.865  1.0
[/CIF]
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The material described by LiV2F7 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(5), one F(6), and one F(7) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form a mixture of distorted corner and edge-sharing VF7 hexagonal pyramids. In the second V site, V(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form a mixture of distorted corner and edge-sharing VF7 hexagonal pyramids. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_LiV2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.914
_cell_length_b   4.914
_cell_length_c   10.649
_cell_angle_alpha   82.675
_cell_angle_beta   82.675
_cell_angle_gamma   82.693
_symmetry_Int_Tables_number   1
_cell_volume   251.373
_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  0.737  0.358  0.016  1.0
  Li  Li1  1  0.358  0.737  0.516  1.0
  V  V2  1  0.265  0.283  0.252  1.0
  V  V3  1  0.283  0.265  0.752  1.0
  V  V4  1  0.722  0.728  0.251  1.0
  V  V5  1  0.728  0.722  0.751  1.0
  F  F6  1  0.569  0.061  0.133  1.0
  F  F7  1  0.489  0.994  0.369  1.0
  F  F8  1  0.965  0.037  0.750  1.0
  F  F9  1  0.945  0.448  0.365  1.0
  F  F10  1  0.489  0.566  0.140  1.0
  F  F11  1  0.997  0.493  0.132  1.0
  F  F12  1  0.436  0.510  0.365  1.0
  F  F13  1  0.566  0.489  0.640  1.0
  F  F14  1  0.994  0.489  0.869  1.0
  F  F15  1  0.510  0.436  0.865  1.0
  F  F16  1  0.061  0.569  0.633  1.0
  F  F17  1  0.037  0.965  0.250  1.0
  F  F18  1  0.493  0.997  0.632  1.0
  F  F19  1  0.448  0.945  0.865  1.0
[/CIF]
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