The compound described by Li2VF6 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(3), one F(31), one F(33), one F(35), one F(7), and one F(9) atom. In the second Li site, Li(2) is bonded to one F(17), one F(29), one F(6), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(6)F6 octahedra, and  an edgeedge with one Li(10)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-67°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one F(11), one F(15), one F(23), and one F(26) atom. In the fourth Li site, Li(4) is bonded to one F(10), one F(14), one F(16), one F(21), and one F(9) atom to form LiF5 square pyramids that share  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one Li(12)F4 tetrahedra,  an edgeedge with one V(3)F6 octahedra, and  an edgeedge with one Li(8)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-84°. In the fifth Li site, Li(5) is bonded to one F(10), one F(12), one F(17), one F(2), one F(22), and one F(36) atom to form distorted LiF6 octahedra that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(6)F6 octahedra,  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Li(12)F4 tetrahedra,  a cornercorner with one Li(2)F4 tetrahedra,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one V(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one F(1), one F(14), one F(19), one F(26), and one F(5) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one F(13), one F(18), one F(20), one F(24), and one F(30) atom. In the eighth Li site, Li(8) is bonded to one F(16), one F(21), one F(23), one F(27), and one F(28) atom to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(6)F6 octahedra,  an edgeedge with one V(3)F6 octahedra, and  an edgeedge with one Li(4)F5 square pyramid. The corner-sharing octahedral tilt angles range from 45-58°. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one F(25), one F(3), one F(30), one F(31), and one F(34) atom. In the tenth Li site, Li(10) is bonded to one F(20), one F(29), one F(31), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(6)F6 octahedra, and  an edgeedge with one Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the eleventh Li site, Li(11) is bonded to one F(2), one F(28), one F(30), one F(34), one F(4), and one F(6) atom to form distorted LiF6 octahedra that share  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(3)F6 octahedra,  a cornercorner with one Li(12)F4 tetrahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(8)F5 trigonal bipyramid,  an edgeedge with one V(4)F6 octahedra, and  an edgeedge with one V(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the twelfth Li site, Li(12) is bonded to one F(10), one F(32), one F(33), and one F(4) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one V(3)F6 octahedra,  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(6)F6 octahedra, and  a cornercorner with one Li(4)F5 square pyramid. The corner-sharing octahedral tilt angles range from 40-65°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(17), one F(20), one F(30), one F(36), and one F(7) atom to form VF6 octahedra that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one Li(10)F4 tetrahedra,  a cornercorner with one Li(2)F4 tetrahedra, and  an edgeedge with one Li(5)F6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second V site, V(2) is bonded to one F(13), one F(15), one F(3), one F(5), one F(8), and one F(9) atom to form VF6 octahedra that share  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Li(10)F4 tetrahedra, and  a cornercorner with one Li(2)F4 tetrahedra. In the third V site, V(3) is bonded to one F(10), one F(14), one F(2), one F(23), one F(27), and one F(35) atom to form VF6 octahedra that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one Li(12)F4 tetrahedra,  an edgeedge with one Li(5)F6 octahedra,  an edgeedge with one Li(4)F5 square pyramid, and  an edgeedge with one Li(8)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. In the fourth V site, V(4) is bonded to one F(11), one F(12), one F(16), one F(18), one F(4), and one F(6) atom to form VF6 octahedra that share  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Li(12)F4 tetrahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(8)F5 trigonal bipyramid, and  an edgeedge with one Li(11)F6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the fifth V site, V(5) is bonded to one F(19), one F(21), one F(25), one F(26), one F(31), and one F(33) atom to form VF6 octahedra that share  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Li(10)F4 tetrahedra,  a cornercorner with one Li(12)F4 tetrahedra, and  a cornercorner with one Li(8)F5 trigonal bipyramid. In the sixth V site, V(6) is bonded to one F(22), one F(24), one F(28), one F(29), one F(32), and one F(34) atom to form VF6 octahedra that share  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(10)F4 tetrahedra,  a cornercorner with one Li(12)F4 tetrahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(8)F5 trigonal bipyramid, and  an edgeedge with one Li(11)F6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are thirty-six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(6) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(11), one Li(5), and one V(3) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Li(1), one Li(9), and one V(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(11), one Li(12), and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Li(6) and one V(2) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Li(11), one Li(2), and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(10), one Li(2), and one V(2) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one V(2) atom. In the tenth F site, F(10) is bonded in a distorted tetrahedral geometry to one Li(12), one Li(4), one Li(5), and one V(3) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Li(3) and one V(4) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Li(5) and one V(4) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(7) and one V(2) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Li(4), one Li(6), and one V(3) atom. In the fifteenth F site, F(15) is bonded in a bent 120 degrees geometry to one Li(3) and one V(2) atom. In the sixteenth F site, F(16) is bonded in a 3-coordinate geometry to one Li(4), one Li(8), and one V(4) atom. In the seventeenth F site, F(17) is bonded in a trigonal planar geometry to one Li(2), one Li(5), and one V(1) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one Li(7) and one V(4) atom. In the nineteenth F site, F(19) is bonded in a bent 120 degrees geometry to one Li(6) and one V(5) atom. In the twentieth F site, F(20) is bonded in a trigonal planar geometry to one Li(10), one Li(7), and one V(1) atom. In the twenty-first F site, F(21) is bonded in a distorted T-shaped geometry to one Li(4), one Li(8), and one V(5) atom. In the twenty-second F site, F(22) is bonded in a bent 150 degrees geometry to one Li(5) and one V(6) atom. In the twenty-third F site, F(23) is bonded in a T-shaped geometry to one Li(3), one Li(8), and one V(3) atom. In the twenty-fourth F site, F(24) is bonded in a bent 150 degrees geometry to one Li(7) and one V(6) atom. In the twenty-fifth F site, F(25) is bonded in a water-like geometry to one Li(9) and one V(5) atom. In the twenty-sixth F site, F(26) is bonded in a distorted T-shaped geometry to one Li(3), one Li(6), and one V(5) atom. In the twenty-seventh F site, F(27) is bonded in a water-like geometry to one Li(8) and one V(3) atom. In the twenty-eighth F site, F(28) is bonded in a trigonal planar geometry to one Li(11), one Li(8), and one V(6) atom. In the twenty-ninth F site, F(29) is bonded in a distorted T-shaped geometry to one Li(10), one Li(2), and one V(6) atom. In the thirtieth F site, F(30) is bonded in a distorted trigonal pyramidal geometry to one Li(11), one Li(7), one Li(9), and one V(1) atom. In the thirty-first F site, F(31) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(10), one Li(9), and one V(5) atom. In the thirty-second F site, F(32) is bonded in a distorted bent 120 degrees geometry to one Li(12) and one V(6) atom. In the thirty-third F site, F(33) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Li(12), and one V(5) atom. In the thirty-fourth F site, F(34) is bonded in a distorted T-shaped geometry to one Li(11), one Li(9), and one V(6) atom. In the thirty-fifth F site, F(35) is bonded in a bent 150 degrees geometry to one Li(1) and one V(3) atom. In the thirty-sixth F site, F(36) is bonded in a water-like geometry to one Li(5) and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.708
_cell_length_b   8.565
_cell_length_c   10.210
_cell_angle_alpha   85.606
_cell_angle_beta   93.768
_cell_angle_gamma   118.218
_symmetry_Int_Tables_number   1
_cell_volume   668.641
_cell_formula_units_Z   6
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  0.009  0.302  0.725  1.0
  Li  Li1  1  0.346  0.947  0.433  1.0
  Li  Li2  1  0.550  0.892  0.957  1.0
  Li  Li3  1  0.330  0.359  0.968  1.0
  Li  Li4  1  0.201  0.198  0.256  1.0
  Li  Li5  1  0.284  0.007  0.776  1.0
  Li  Li6  1  0.622  0.665  0.467  1.0
  Li  Li7  1  0.677  0.635  0.031  1.0
  Li  Li8  1  0.896  0.543  0.546  1.0
  Li  Li9  1  0.657  0.057  0.566  1.0
  Li  Li10  1  0.995  0.700  0.269  1.0
  Li  Li11  1  0.950  0.355  0.065  1.0
  V  V12  1  0.999  0.001  0.502  1.0
  V  V13  1  0.337  0.665  0.709  1.0
  V  V14  1  0.993  0.991  0.994  1.0
  V  V15  1  0.334  0.662  0.207  1.0
  V  V16  1  0.665  0.338  0.795  1.0
  V  V17  1  0.661  0.335  0.291  1.0
  F  F18  1  0.082  0.928  0.652  1.0
  F  F19  1  0.067  0.934  0.157  1.0
  F  F20  1  0.109  0.572  0.628  1.0
  F  F21  1  0.109  0.579  0.121  1.0
  F  F22  1  0.271  0.774  0.827  1.0
  F  F23  1  0.237  0.751  0.329  1.0
  F  F24  1  0.062  0.215  0.577  1.0
  F  F25  1  0.417  0.891  0.605  1.0
  F  F26  1  0.244  0.444  0.809  1.0
  F  F27  1  0.091  0.231  0.066  1.0
  F  F28  1  0.414  0.870  0.108  1.0
  F  F29  1  0.255  0.441  0.290  1.0
  F  F30  1  0.422  0.593  0.583  1.0
  F  F31  1  0.221  0.084  0.926  1.0
  F  F32  1  0.547  0.753  0.811  1.0
  F  F33  1  0.428  0.584  0.072  1.0
  F  F34  1  0.223  0.077  0.426  1.0
  F  F35  1  0.540  0.739  0.311  1.0
  F  F36  1  0.451  0.242  0.702  1.0
  F  F37  1  0.763  0.910  0.552  1.0
  F  F38  1  0.576  0.423  0.923  1.0
  F  F39  1  0.439  0.256  0.206  1.0
  F  F40  1  0.761  0.907  0.050  1.0
  F  F41  1  0.598  0.435  0.418  1.0
  F  F42  1  0.744  0.544  0.689  1.0
  F  F43  1  0.579  0.112  0.879  1.0
  F  F44  1  0.915  0.763  0.945  1.0
  F  F45  1  0.756  0.559  0.191  1.0
  F  F46  1  0.580  0.117  0.397  1.0
  F  F47  1  0.918  0.761  0.439  1.0
  F  F48  1  0.769  0.262  0.664  1.0
  F  F49  1  0.743  0.250  0.170  1.0
  F  F50  1  0.872  0.396  0.893  1.0
  F  F51  1  0.882  0.432  0.384  1.0
  F  F52  1  0.932  0.085  0.845  1.0
  F  F53  1  0.947  0.076  0.343  1.0
[/CIF]
.
The compound described by Li2VF6 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(3), one F(31), one F(33), one F(35), one F(7), and one F(9) atom. In the second Li site, Li(2) is bonded to one F(17), one F(29), one F(6), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(6)F6 octahedra, and  an edgeedge with one Li(10)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-67°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one F(11), one F(15), one F(23), and one F(26) atom. In the fourth Li site, Li(4) is bonded to one F(10), one F(14), one F(16), one F(21), and one F(9) atom to form LiF5 square pyramids that share  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one Li(12)F4 tetrahedra,  an edgeedge with one V(3)F6 octahedra, and  an edgeedge with one Li(8)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-84°. In the fifth Li site, Li(5) is bonded to one F(10), one F(12), one F(17), one F(2), one F(22), and one F(36) atom to form distorted LiF6 octahedra that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(6)F6 octahedra,  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Li(12)F4 tetrahedra,  a cornercorner with one Li(2)F4 tetrahedra,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one V(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one F(1), one F(14), one F(19), one F(26), and one F(5) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one F(13), one F(18), one F(20), one F(24), and one F(30) atom. In the eighth Li site, Li(8) is bonded to one F(16), one F(21), one F(23), one F(27), and one F(28) atom to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(6)F6 octahedra,  an edgeedge with one V(3)F6 octahedra, and  an edgeedge with one Li(4)F5 square pyramid. The corner-sharing octahedral tilt angles range from 45-58°. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one F(25), one F(3), one F(30), one F(31), and one F(34) atom. In the tenth Li site, Li(10) is bonded to one F(20), one F(29), one F(31), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(6)F6 octahedra, and  an edgeedge with one Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the eleventh Li site, Li(11) is bonded to one F(2), one F(28), one F(30), one F(34), one F(4), and one F(6) atom to form distorted LiF6 octahedra that share  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(3)F6 octahedra,  a cornercorner with one Li(12)F4 tetrahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(8)F5 trigonal bipyramid,  an edgeedge with one V(4)F6 octahedra, and  an edgeedge with one V(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the twelfth Li site, Li(12) is bonded to one F(10), one F(32), one F(33), and one F(4) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one V(3)F6 octahedra,  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(6)F6 octahedra, and  a cornercorner with one Li(4)F5 square pyramid. The corner-sharing octahedral tilt angles range from 40-65°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(17), one F(20), one F(30), one F(36), and one F(7) atom to form VF6 octahedra that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one Li(10)F4 tetrahedra,  a cornercorner with one Li(2)F4 tetrahedra, and  an edgeedge with one Li(5)F6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second V site, V(2) is bonded to one F(13), one F(15), one F(3), one F(5), one F(8), and one F(9) atom to form VF6 octahedra that share  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Li(10)F4 tetrahedra, and  a cornercorner with one Li(2)F4 tetrahedra. In the third V site, V(3) is bonded to one F(10), one F(14), one F(2), one F(23), one F(27), and one F(35) atom to form VF6 octahedra that share  a cornercorner with one Li(11)F6 octahedra,  a cornercorner with one Li(12)F4 tetrahedra,  an edgeedge with one Li(5)F6 octahedra,  an edgeedge with one Li(4)F5 square pyramid, and  an edgeedge with one Li(8)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. In the fourth V site, V(4) is bonded to one F(11), one F(12), one F(16), one F(18), one F(4), and one F(6) atom to form VF6 octahedra that share  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Li(12)F4 tetrahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(8)F5 trigonal bipyramid, and  an edgeedge with one Li(11)F6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the fifth V site, V(5) is bonded to one F(19), one F(21), one F(25), one F(26), one F(31), and one F(33) atom to form VF6 octahedra that share  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Li(10)F4 tetrahedra,  a cornercorner with one Li(12)F4 tetrahedra, and  a cornercorner with one Li(8)F5 trigonal bipyramid. In the sixth V site, V(6) is bonded to one F(22), one F(24), one F(28), one F(29), one F(32), and one F(34) atom to form VF6 octahedra that share  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(10)F4 tetrahedra,  a cornercorner with one Li(12)F4 tetrahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(8)F5 trigonal bipyramid, and  an edgeedge with one Li(11)F6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are thirty-six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(6) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(11), one Li(5), and one V(3) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Li(1), one Li(9), and one V(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(11), one Li(12), and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Li(6) and one V(2) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Li(11), one Li(2), and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(10), one Li(2), and one V(2) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one V(2) atom. In the tenth F site, F(10) is bonded in a distorted tetrahedral geometry to one Li(12), one Li(4), one Li(5), and one V(3) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Li(3) and one V(4) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Li(5) and one V(4) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(7) and one V(2) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Li(4), one Li(6), and one V(3) atom. In the fifteenth F site, F(15) is bonded in a bent 120 degrees geometry to one Li(3) and one V(2) atom. In the sixteenth F site, F(16) is bonded in a 3-coordinate geometry to one Li(4), one Li(8), and one V(4) atom. In the seventeenth F site, F(17) is bonded in a trigonal planar geometry to one Li(2), one Li(5), and one V(1) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one Li(7) and one V(4) atom. In the nineteenth F site, F(19) is bonded in a bent 120 degrees geometry to one Li(6) and one V(5) atom. In the twentieth F site, F(20) is bonded in a trigonal planar geometry to one Li(10), one Li(7), and one V(1) atom. In the twenty-first F site, F(21) is bonded in a distorted T-shaped geometry to one Li(4), one Li(8), and one V(5) atom. In the twenty-second F site, F(22) is bonded in a bent 150 degrees geometry to one Li(5) and one V(6) atom. In the twenty-third F site, F(23) is bonded in a T-shaped geometry to one Li(3), one Li(8), and one V(3) atom. In the twenty-fourth F site, F(24) is bonded in a bent 150 degrees geometry to one Li(7) and one V(6) atom. In the twenty-fifth F site, F(25) is bonded in a water-like geometry to one Li(9) and one V(5) atom. In the twenty-sixth F site, F(26) is bonded in a distorted T-shaped geometry to one Li(3), one Li(6), and one V(5) atom. In the twenty-seventh F site, F(27) is bonded in a water-like geometry to one Li(8) and one V(3) atom. In the twenty-eighth F site, F(28) is bonded in a trigonal planar geometry to one Li(11), one Li(8), and one V(6) atom. In the twenty-ninth F site, F(29) is bonded in a distorted T-shaped geometry to one Li(10), one Li(2), and one V(6) atom. In the thirtieth F site, F(30) is bonded in a distorted trigonal pyramidal geometry to one Li(11), one Li(7), one Li(9), and one V(1) atom. In the thirty-first F site, F(31) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(10), one Li(9), and one V(5) atom. In the thirty-second F site, F(32) is bonded in a distorted bent 120 degrees geometry to one Li(12) and one V(6) atom. In the thirty-third F site, F(33) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Li(12), and one V(5) atom. In the thirty-fourth F site, F(34) is bonded in a distorted T-shaped geometry to one Li(11), one Li(9), and one V(6) atom. In the thirty-fifth F site, F(35) is bonded in a bent 150 degrees geometry to one Li(1) and one V(3) atom. In the thirty-sixth F site, F(36) is bonded in a water-like geometry to one Li(5) and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.708
_cell_length_b   8.565
_cell_length_c   10.210
_cell_angle_alpha   85.606
_cell_angle_beta   93.768
_cell_angle_gamma   118.218
_symmetry_Int_Tables_number   1
_cell_volume   668.641
_cell_formula_units_Z   6
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  0.009  0.302  0.725  1.0
  Li  Li1  1  0.346  0.947  0.433  1.0
  Li  Li2  1  0.550  0.892  0.957  1.0
  Li  Li3  1  0.330  0.359  0.968  1.0
  Li  Li4  1  0.201  0.198  0.256  1.0
  Li  Li5  1  0.284  0.007  0.776  1.0
  Li  Li6  1  0.622  0.665  0.467  1.0
  Li  Li7  1  0.677  0.635  0.031  1.0
  Li  Li8  1  0.896  0.543  0.546  1.0
  Li  Li9  1  0.657  0.057  0.566  1.0
  Li  Li10  1  0.995  0.700  0.269  1.0
  Li  Li11  1  0.950  0.355  0.065  1.0
  V  V12  1  0.999  0.001  0.502  1.0
  V  V13  1  0.337  0.665  0.709  1.0
  V  V14  1  0.993  0.991  0.994  1.0
  V  V15  1  0.334  0.662  0.207  1.0
  V  V16  1  0.665  0.338  0.795  1.0
  V  V17  1  0.661  0.335  0.291  1.0
  F  F18  1  0.082  0.928  0.652  1.0
  F  F19  1  0.067  0.934  0.157  1.0
  F  F20  1  0.109  0.572  0.628  1.0
  F  F21  1  0.109  0.579  0.121  1.0
  F  F22  1  0.271  0.774  0.827  1.0
  F  F23  1  0.237  0.751  0.329  1.0
  F  F24  1  0.062  0.215  0.577  1.0
  F  F25  1  0.417  0.891  0.605  1.0
  F  F26  1  0.244  0.444  0.809  1.0
  F  F27  1  0.091  0.231  0.066  1.0
  F  F28  1  0.414  0.870  0.108  1.0
  F  F29  1  0.255  0.441  0.290  1.0
  F  F30  1  0.422  0.593  0.583  1.0
  F  F31  1  0.221  0.084  0.926  1.0
  F  F32  1  0.547  0.753  0.811  1.0
  F  F33  1  0.428  0.584  0.072  1.0
  F  F34  1  0.223  0.077  0.426  1.0
  F  F35  1  0.540  0.739  0.311  1.0
  F  F36  1  0.451  0.242  0.702  1.0
  F  F37  1  0.763  0.910  0.552  1.0
  F  F38  1  0.576  0.423  0.923  1.0
  F  F39  1  0.439  0.256  0.206  1.0
  F  F40  1  0.761  0.907  0.050  1.0
  F  F41  1  0.598  0.435  0.418  1.0
  F  F42  1  0.744  0.544  0.689  1.0
  F  F43  1  0.579  0.112  0.879  1.0
  F  F44  1  0.915  0.763  0.945  1.0
  F  F45  1  0.756  0.559  0.191  1.0
  F  F46  1  0.580  0.117  0.397  1.0
  F  F47  1  0.918  0.761  0.439  1.0
  F  F48  1  0.769  0.262  0.664  1.0
  F  F49  1  0.743  0.250  0.170  1.0
  F  F50  1  0.872  0.396  0.893  1.0
  F  F51  1  0.882  0.432  0.384  1.0
  F  F52  1  0.932  0.085  0.845  1.0
  F  F53  1  0.947  0.076  0.343  1.0
[/CIF]
.