The material described by Li3V2H4(OF5)2 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(2), one F(7), one F(8), and one F(9) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one F(10), one F(4), one F(5), and one F(6) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one F(2), one F(7), one F(8), and one F(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(2), one F(2), one F(3), one F(4), one F(5), and one F(7) atom. In the second V site, V(2) is bonded in an octahedral geometry to one O(1), one F(1), one F(10), one F(6), one F(8), and one F(9) atom. 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 distorted linear geometry to one O(2) and one F(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one H(1), and one H(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one H(2), 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(2) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one V(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one V(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(2) and one V(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one H(2) atom. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one V(1) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one V(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one V(2) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one V(2) atom. is represented by the CIF file [CIF]
data_Li3V2H4(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   7.845
_cell_length_c   11.873
_cell_angle_alpha   53.203
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.975
_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  0.727  0.717  0.777  1.0
  Li  Li1  1  0.733  0.232  0.771  1.0
  Li  Li2  1  0.277  0.774  0.729  1.0
  Li  Li3  1  0.267  0.232  0.271  1.0
  Li  Li4  1  0.723  0.774  0.229  1.0
  Li  Li5  1  0.273  0.717  0.277  1.0
  V  V6  1  0.019  0.746  0.003  1.0
  V  V7  1  0.480  0.250  0.002  1.0
  V  V8  1  0.981  0.746  0.503  1.0
  V  V9  1  0.520  0.250  0.502  1.0
  H  H10  1  0.073  0.363  0.967  1.0
  H  H11  1  0.414  0.899  0.956  1.0
  H  H12  1  0.925  0.120  0.531  1.0
  H  H13  1  0.927  0.363  0.467  1.0
  H  H14  1  0.589  0.637  0.527  1.0
  H  H15  1  0.586  0.899  0.456  1.0
  H  H16  1  0.075  0.120  0.031  1.0
  H  H17  1  0.411  0.637  0.027  1.0
  O  O18  1  0.165  0.243  0.996  1.0
  O  O19  1  0.328  0.769  0.986  1.0
  O  O20  1  0.835  0.243  0.496  1.0
  O  O21  1  0.672  0.769  0.486  1.0
  F  F22  1  0.774  0.266  0.989  1.0
  F  F23  1  0.019  0.653  0.885  1.0
  F  F24  1  0.735  0.720  0.018  1.0
  F  F25  1  0.991  0.022  0.844  1.0
  F  F26  1  0.937  0.478  0.666  1.0
  F  F27  1  0.505  0.116  0.902  1.0
  F  F28  1  0.984  0.844  0.619  1.0
  F  F29  1  0.478  0.547  0.822  1.0
  F  F30  1  0.226  0.266  0.489  1.0
  F  F31  1  0.526  0.952  0.681  1.0
  F  F32  1  0.981  0.653  0.385  1.0
  F  F33  1  0.560  0.373  0.604  1.0
  F  F34  1  0.009  0.022  0.344  1.0
  F  F35  1  0.265  0.720  0.518  1.0
  F  F36  1  0.063  0.478  0.166  1.0
  F  F37  1  0.495  0.116  0.402  1.0
  F  F38  1  0.016  0.844  0.119  1.0
  F  F39  1  0.522  0.547  0.322  1.0
  F  F40  1  0.474  0.952  0.181  1.0
  F  F41  1  0.440  0.373  0.104  1.0
[/CIF]
.
The material described by Li3V2H4(OF5)2 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(2), one F(7), one F(8), and one F(9) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one F(10), one F(4), one F(5), and one F(6) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one F(2), one F(7), one F(8), and one F(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(2), one F(2), one F(3), one F(4), one F(5), and one F(7) atom. In the second V site, V(2) is bonded in an octahedral geometry to one O(1), one F(1), one F(10), one F(6), one F(8), and one F(9) atom. 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 distorted linear geometry to one O(2) and one F(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one H(1), and one H(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one H(2), 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(2) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one V(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one V(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(2) and one V(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one H(2) atom. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one V(1) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one V(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one V(2) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one V(2) atom. is represented by the CIF file [CIF]
data_Li3V2H4(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   7.845
_cell_length_c   11.873
_cell_angle_alpha   53.203
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.975
_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  0.727  0.717  0.777  1.0
  Li  Li1  1  0.733  0.232  0.771  1.0
  Li  Li2  1  0.277  0.774  0.729  1.0
  Li  Li3  1  0.267  0.232  0.271  1.0
  Li  Li4  1  0.723  0.774  0.229  1.0
  Li  Li5  1  0.273  0.717  0.277  1.0
  V  V6  1  0.019  0.746  0.003  1.0
  V  V7  1  0.480  0.250  0.002  1.0
  V  V8  1  0.981  0.746  0.503  1.0
  V  V9  1  0.520  0.250  0.502  1.0
  H  H10  1  0.073  0.363  0.967  1.0
  H  H11  1  0.414  0.899  0.956  1.0
  H  H12  1  0.925  0.120  0.531  1.0
  H  H13  1  0.927  0.363  0.467  1.0
  H  H14  1  0.589  0.637  0.527  1.0
  H  H15  1  0.586  0.899  0.456  1.0
  H  H16  1  0.075  0.120  0.031  1.0
  H  H17  1  0.411  0.637  0.027  1.0
  O  O18  1  0.165  0.243  0.996  1.0
  O  O19  1  0.328  0.769  0.986  1.0
  O  O20  1  0.835  0.243  0.496  1.0
  O  O21  1  0.672  0.769  0.486  1.0
  F  F22  1  0.774  0.266  0.989  1.0
  F  F23  1  0.019  0.653  0.885  1.0
  F  F24  1  0.735  0.720  0.018  1.0
  F  F25  1  0.991  0.022  0.844  1.0
  F  F26  1  0.937  0.478  0.666  1.0
  F  F27  1  0.505  0.116  0.902  1.0
  F  F28  1  0.984  0.844  0.619  1.0
  F  F29  1  0.478  0.547  0.822  1.0
  F  F30  1  0.226  0.266  0.489  1.0
  F  F31  1  0.526  0.952  0.681  1.0
  F  F32  1  0.981  0.653  0.385  1.0
  F  F33  1  0.560  0.373  0.604  1.0
  F  F34  1  0.009  0.022  0.344  1.0
  F  F35  1  0.265  0.720  0.518  1.0
  F  F36  1  0.063  0.478  0.166  1.0
  F  F37  1  0.495  0.116  0.402  1.0
  F  F38  1  0.016  0.844  0.119  1.0
  F  F39  1  0.522  0.547  0.322  1.0
  F  F40  1  0.474  0.952  0.181  1.0
  F  F41  1  0.440  0.373  0.104  1.0
[/CIF]
.