The crystal structure described by LiV2H4(OF5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(2), one F(3), one F(4), one F(8), and one F(9) atom to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one V(2)OF5 octahedra, corners with two equivalent V(1)OF5 octahedra, and  an edgeedge with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-51°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(1), one F(2), one F(5), one F(7), and one F(8) atom to form VOF5 octahedra that share corners with two equivalent Li(1)F5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one F(10), one F(3), one F(4), one F(6), and one F(9) atom to form VOF5 octahedra that share  a cornercorner with one Li(1)F5 trigonal bipyramid and  an edgeedge with one Li(1)F5 trigonal bipyramid. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one F(6) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(2) and one F(9) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one V(2), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one H(3), and one H(4) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(2) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Li(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(1) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one V(2) and one H(3) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one V(1) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Li(1) and one V(1) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one H(4) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2H4(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.676
_cell_length_b   5.888
_cell_length_c   7.659
_cell_angle_alpha   86.330
_cell_angle_beta   85.677
_cell_angle_gamma   70.393
_symmetry_Int_Tables_number   1
_cell_volume   240.261
_cell_formula_units_Z   1
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  0.286  0.313  0.963  1.0
  V  V1  1  0.243  0.779  0.249  1.0
  V  V2  1  0.763  0.227  0.752  1.0
  H  H3  1  0.205  0.879  0.825  1.0
  H  H4  1  0.102  0.796  0.661  1.0
  H  H5  1  0.879  0.161  0.354  1.0
  H  H6  1  0.806  0.108  0.151  1.0
  O  O7  1  0.055  0.900  0.762  1.0
  O  O8  1  0.922  0.051  0.252  1.0
  F  F9  1  0.363  0.966  0.363  1.0
  F  F10  1  0.318  0.919  0.039  1.0
  F  F11  1  0.986  0.348  0.843  1.0
  F  F12  1  0.485  0.502  0.764  1.0
  F  F13  1  0.127  0.675  0.453  1.0
  F  F14  1  0.854  0.294  0.519  1.0
  F  F15  1  0.530  0.539  0.243  1.0
  F  F16  1  0.104  0.606  0.124  1.0
  F  F17  1  0.647  0.174  0.997  1.0
  F  F18  1  0.582  0.050  0.690  1.0
[/CIF]
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The crystal structure described by LiV2H4(OF5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(2), one F(3), one F(4), one F(8), and one F(9) atom to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one V(2)OF5 octahedra, corners with two equivalent V(1)OF5 octahedra, and  an edgeedge with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-51°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(1), one F(2), one F(5), one F(7), and one F(8) atom to form VOF5 octahedra that share corners with two equivalent Li(1)F5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one F(10), one F(3), one F(4), one F(6), and one F(9) atom to form VOF5 octahedra that share  a cornercorner with one Li(1)F5 trigonal bipyramid and  an edgeedge with one Li(1)F5 trigonal bipyramid. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one F(6) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(2) and one F(9) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one V(2), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one H(3), and one H(4) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(2) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Li(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(1) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one V(2) and one H(3) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one V(1) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Li(1) and one V(1) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one H(4) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2H4(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.676
_cell_length_b   5.888
_cell_length_c   7.659
_cell_angle_alpha   86.330
_cell_angle_beta   85.677
_cell_angle_gamma   70.393
_symmetry_Int_Tables_number   1
_cell_volume   240.261
_cell_formula_units_Z   1
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  0.286  0.313  0.963  1.0
  V  V1  1  0.243  0.779  0.249  1.0
  V  V2  1  0.763  0.227  0.752  1.0
  H  H3  1  0.205  0.879  0.825  1.0
  H  H4  1  0.102  0.796  0.661  1.0
  H  H5  1  0.879  0.161  0.354  1.0
  H  H6  1  0.806  0.108  0.151  1.0
  O  O7  1  0.055  0.900  0.762  1.0
  O  O8  1  0.922  0.051  0.252  1.0
  F  F9  1  0.363  0.966  0.363  1.0
  F  F10  1  0.318  0.919  0.039  1.0
  F  F11  1  0.986  0.348  0.843  1.0
  F  F12  1  0.485  0.502  0.764  1.0
  F  F13  1  0.127  0.675  0.453  1.0
  F  F14  1  0.854  0.294  0.519  1.0
  F  F15  1  0.530  0.539  0.243  1.0
  F  F16  1  0.104  0.606  0.124  1.0
  F  F17  1  0.647  0.174  0.997  1.0
  F  F18  1  0.582  0.050  0.690  1.0
[/CIF]
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