The compound described by LiV3F10 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(3), one F(4), one F(5), and one F(6) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(10), one F(3), one F(4), one F(6), and two equivalent F(9) atoms to form a mixture of edge and corner-sharing VF7 pentagonal bipyramids. In the second V site, V(2) is bonded to one F(10), one F(2), one F(3), one F(4), one F(5), and two equivalent F(8) atoms to form a mixture of distorted edge and corner-sharing VF7 pentagonal bipyramids. In the third V site, V(3) is bonded to one F(1), one F(10), one F(2), one F(5), one F(6), and two equivalent F(7) atoms to form a mixture of edge and corner-sharing VF7 pentagonal bipyramids. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(1) and one V(3) atom. In the second F site, F(2) is bonded in a linear geometry to one V(2) and one V(3) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one V(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. In the seventh F site, F(7) is bonded in a linear geometry to two equivalent V(3) atoms. In the eighth F site, F(8) is bonded in a linear geometry to two equivalent V(2) atoms. In the ninth F site, F(9) is bonded in a linear geometry to two equivalent V(1) atoms. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.038
_cell_length_b   3.987
_cell_length_c   15.571
_cell_angle_alpha   89.268
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.793
_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  0.492  0.092  0.393  1.0
  Li  Li1  1  0.508  0.092  0.893  1.0
  V  V2  1  0.057  0.010  0.004  1.0
  V  V3  1  0.036  0.005  0.287  1.0
  V  V4  1  0.503  0.020  0.138  1.0
  V  V5  1  0.943  0.010  0.504  1.0
  V  V6  1  0.964  0.005  0.787  1.0
  V  V7  1  0.497  0.020  0.638  1.0
  F  F8  1  0.771  0.005  0.062  1.0
  F  F9  1  0.768  0.027  0.219  1.0
  F  F10  1  0.798  0.986  0.380  1.0
  F  F11  1  0.229  0.005  0.562  1.0
  F  F12  1  0.184  0.025  0.404  1.0
  F  F13  1  0.365  0.028  0.261  1.0
  F  F14  1  0.232  0.027  0.719  1.0
  F  F15  1  0.202  0.986  0.880  1.0
  F  F16  1  0.816  0.025  0.904  1.0
  F  F17  1  0.635  0.028  0.761  1.0
  F  F18  1  0.394  0.076  0.012  1.0
  F  F19  1  0.606  0.076  0.512  1.0
  F  F20  1  0.502  0.520  0.140  1.0
  F  F21  1  0.043  0.509  0.285  1.0
  F  F22  1  0.946  0.511  0.496  1.0
  F  F23  1  0.498  0.520  0.640  1.0
  F  F24  1  0.957  0.509  0.785  1.0
  F  F25  1  0.054  0.511  0.996  1.0
  F  F26  1  0.158  0.971  0.130  1.0
  F  F27  1  0.842  0.971  0.630  1.0
[/CIF]
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The compound described by LiV3F10 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(3), one F(4), one F(5), and one F(6) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(10), one F(3), one F(4), one F(6), and two equivalent F(9) atoms to form a mixture of edge and corner-sharing VF7 pentagonal bipyramids. In the second V site, V(2) is bonded to one F(10), one F(2), one F(3), one F(4), one F(5), and two equivalent F(8) atoms to form a mixture of distorted edge and corner-sharing VF7 pentagonal bipyramids. In the third V site, V(3) is bonded to one F(1), one F(10), one F(2), one F(5), one F(6), and two equivalent F(7) atoms to form a mixture of edge and corner-sharing VF7 pentagonal bipyramids. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(1) and one V(3) atom. In the second F site, F(2) is bonded in a linear geometry to one V(2) and one V(3) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one V(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. In the seventh F site, F(7) is bonded in a linear geometry to two equivalent V(3) atoms. In the eighth F site, F(8) is bonded in a linear geometry to two equivalent V(2) atoms. In the ninth F site, F(9) is bonded in a linear geometry to two equivalent V(1) atoms. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.038
_cell_length_b   3.987
_cell_length_c   15.571
_cell_angle_alpha   89.268
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.793
_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  0.492  0.092  0.393  1.0
  Li  Li1  1  0.508  0.092  0.893  1.0
  V  V2  1  0.057  0.010  0.004  1.0
  V  V3  1  0.036  0.005  0.287  1.0
  V  V4  1  0.503  0.020  0.138  1.0
  V  V5  1  0.943  0.010  0.504  1.0
  V  V6  1  0.964  0.005  0.787  1.0
  V  V7  1  0.497  0.020  0.638  1.0
  F  F8  1  0.771  0.005  0.062  1.0
  F  F9  1  0.768  0.027  0.219  1.0
  F  F10  1  0.798  0.986  0.380  1.0
  F  F11  1  0.229  0.005  0.562  1.0
  F  F12  1  0.184  0.025  0.404  1.0
  F  F13  1  0.365  0.028  0.261  1.0
  F  F14  1  0.232  0.027  0.719  1.0
  F  F15  1  0.202  0.986  0.880  1.0
  F  F16  1  0.816  0.025  0.904  1.0
  F  F17  1  0.635  0.028  0.761  1.0
  F  F18  1  0.394  0.076  0.012  1.0
  F  F19  1  0.606  0.076  0.512  1.0
  F  F20  1  0.502  0.520  0.140  1.0
  F  F21  1  0.043  0.509  0.285  1.0
  F  F22  1  0.946  0.511  0.496  1.0
  F  F23  1  0.498  0.520  0.640  1.0
  F  F24  1  0.957  0.509  0.785  1.0
  F  F25  1  0.054  0.511  0.996  1.0
  F  F26  1  0.158  0.971  0.130  1.0
  F  F27  1  0.842  0.971  0.630  1.0
[/CIF]
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