The material described by Li2VOF4 crystallizes in the monoclinic Pm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(11), one F(13), one F(7), and two equivalent F(1) atoms to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one V(3)O3F3 octahedra, corners with two equivalent Li(1)F5 trigonal bipyramids,  an edgeedge with one V(3)O3F3 octahedra, edges with two equivalent Li(3)F6 octahedra, and edges with two equivalent Li(7)F6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the second Li site, Li(2) is bonded to one F(16), one F(8), two equivalent F(2), and two equivalent F(5) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(6)F6 octahedra, corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(2)O3F3 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with two equivalent Li(8)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-65°. In the third Li site, Li(3) is bonded to one F(1), one F(9), two equivalent F(4), and two equivalent F(7) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(7)F6 octahedra, corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent V(3)O3F3 octahedra, edges with two equivalent Li(3)F6 octahedra, edges with two equivalent Li(1)F5 trigonal bipyramids, and edges with two equivalent Li(5)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-65°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(4), one F(12), one F(2), and two equivalent F(8) atoms. In the fifth Li site, Li(5) is bonded to one F(14), one F(4), one F(6), and two equivalent F(9) atoms to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one V(1)O2F4 octahedra, corners with two equivalent Li(5)F5 trigonal bipyramids,  an edgeedge with one V(1)O2F4 octahedra, edges with two equivalent Li(3)F6 octahedra, and edges with two equivalent Li(7)F6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the sixth Li site, Li(6) is bonded to one F(16), one F(8), two equivalent F(10), and two equivalent F(12) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(2)O3F3 octahedra, edges with two equivalent Li(6)F6 octahedra, and edges with two equivalent Li(8)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-62°. In the seventh Li site, Li(7) is bonded to one F(1), one F(9), two equivalent F(11), and two equivalent F(14) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(3)F6 octahedra, corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent V(3)O3F3 octahedra, edges with two equivalent Li(7)F6 octahedra, edges with two equivalent Li(1)F5 trigonal bipyramids, and edges with two equivalent Li(5)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-64°. In the eighth Li site, Li(8) is bonded to one F(10), one F(3), one F(5), and two equivalent F(16) atoms to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one V(2)O3F3 octahedra, corners with two equivalent Li(8)F5 trigonal bipyramids,  an edgeedge with one V(2)O3F3 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with two equivalent Li(6)F6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), one F(14), one F(15), one F(4), and one F(6) atom to form VO2F4 octahedra that share corners with two equivalent Li(3)F6 octahedra, corners with two equivalent Li(7)F6 octahedra, corners with two equivalent V(1)O2F4 octahedra,  a cornercorner with one Li(5)F5 trigonal bipyramid, edges with two equivalent V(4)O2F4 octahedra, and  an edgeedge with one Li(5)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-64°. In the second V site, V(2) is bonded to one O(3), two equivalent O(2), one F(10), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Li(6)F6 octahedra, corners with two equivalent V(2)O3F3 octahedra,  a cornercorner with one Li(8)F5 trigonal bipyramid, edges with two equivalent V(3)O3F3 octahedra, and  an edgeedge with one Li(8)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-62°. In the third V site, V(3) is bonded to one O(2), two equivalent O(3), one F(11), one F(13), and one F(7) atom to form VO3F3 octahedra that share corners with two equivalent Li(3)F6 octahedra, corners with two equivalent Li(7)F6 octahedra, corners with two equivalent V(3)O3F3 octahedra,  a cornercorner with one Li(1)F5 trigonal bipyramid, edges with two equivalent V(2)O3F3 octahedra, and  an edgeedge with one Li(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-65°. In the fourth V site, V(4) is bonded to one O(1), one O(4), one F(12), one F(2), and two equivalent F(15) atoms to form distorted VO2F4 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Li(6)F6 octahedra, corners with two equivalent V(4)O2F4 octahedra, and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-65°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(4) and one V(4) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Li(7), and two equivalent Li(1) atoms to form distorted FLi4 tetrahedra that share corners with two equivalent F(1)Li4 tetrahedra, corners with two equivalent F(9)Li4 tetrahedra, corners with two equivalent F(4)Li3V trigonal pyramids, edges with two equivalent F(11)Li3V trigonal pyramids, and edges with two equivalent F(7)Li3V trigonal pyramids. In the second F site, F(2) is bonded to one Li(4), two equivalent Li(2), and one V(4) atom to form distorted FLi3V tetrahedra that share corners with two equivalent F(2)Li3V tetrahedra, corners with two equivalent F(16)Li4 tetrahedra, corners with two equivalent F(12)Li3V trigonal pyramids, corners with two equivalent F(5)Li3V trigonal pyramids,  an edgeedge with one F(5)Li3V trigonal pyramid, and edges with two equivalent F(8)Li4 trigonal pyramids. In the third F site, F(3) is bonded in a water-like geometry to one Li(8) and one V(2) atom. In the fourth F site, F(4) is bonded to one Li(5), two equivalent Li(3), and one V(1) atom to form distorted FLi3V trigonal pyramids that share corners with two equivalent F(1)Li4 tetrahedra, corners with two equivalent F(4)Li3V trigonal pyramids, corners with two equivalent F(7)Li3V trigonal pyramids, edges with two equivalent F(9)Li4 tetrahedra, and  an edgeedge with one F(7)Li3V trigonal pyramid. In the fifth F site, F(5) is bonded to one Li(8), two equivalent Li(2), and one V(2) atom to form FLi3V trigonal pyramids that share corners with two equivalent F(2)Li3V tetrahedra, corners with two equivalent F(5)Li3V trigonal pyramids, corners with two equivalent F(8)Li4 trigonal pyramids,  an edgeedge with one F(2)Li3V tetrahedra, and edges with two equivalent F(16)Li4 tetrahedra. In the sixth F site, F(6) is bonded in a water-like geometry to one Li(5) and one V(1) atom. In the seventh F site, F(7) is bonded to one Li(1), two equivalent Li(3), and one V(3) atom to form distorted FLi3V trigonal pyramids that share corners with two equivalent F(9)Li4 tetrahedra, corners with two equivalent F(11)Li3V trigonal pyramids, corners with two equivalent F(4)Li3V trigonal pyramids, corners with two equivalent F(7)Li3V trigonal pyramids, edges with two equivalent F(1)Li4 tetrahedra, and  an edgeedge with one F(4)Li3V trigonal pyramid. In the eighth F site, F(8) is bonded to one Li(2), one Li(6), and two equivalent Li(4) atoms to form distorted FLi4 trigonal pyramids that share corners with two equivalent F(16)Li4 tetrahedra, corners with two equivalent F(5)Li3V trigonal pyramids, corners with two equivalent F(8)Li4 trigonal pyramids, edges with two equivalent F(2)Li3V tetrahedra, and edges with two equivalent F(12)Li3V trigonal pyramids. In the ninth F site, F(9) is bonded to one Li(3), one Li(7), and two equivalent Li(5) atoms to form FLi4 tetrahedra that share corners with two equivalent F(1)Li4 tetrahedra, corners with two equivalent F(9)Li4 tetrahedra, corners with two equivalent F(11)Li3V trigonal pyramids, corners with two equivalent F(7)Li3V trigonal pyramids, and edges with two equivalent F(4)Li3V trigonal pyramids. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(8), two equivalent Li(6), and one V(2) atom. In the eleventh F site, F(11) is bonded to one Li(1), two equivalent Li(7), and one V(3) atom to form FLi3V trigonal pyramids that share corners with two equivalent F(9)Li4 tetrahedra, corners with two equivalent F(11)Li3V trigonal pyramids, corners with two equivalent F(7)Li3V trigonal pyramids, and edges with two equivalent F(1)Li4 tetrahedra. In the twelfth F site, F(12) is bonded to one Li(4), two equivalent Li(6), and one V(4) atom to form FLi3V trigonal pyramids that share corners with two equivalent F(2)Li3V tetrahedra, corners with two equivalent F(16)Li4 tetrahedra, corners with two equivalent F(12)Li3V trigonal pyramids, and edges with two equivalent F(8)Li4 trigonal pyramids. In the thirteenth F site, F(13) is bonded in a water-like geometry to one Li(1) and one V(3) atom. In the fourteenth F site, F(14) is bonded in a 4-coordinate geometry to one Li(5), two equivalent Li(7), and one V(1) atom. In the fifteenth F site, F(15) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(4) atoms. In the sixteenth F site, F(16) is bonded to one Li(2), one Li(6), and two equivalent Li(8) atoms to form FLi4 tetrahedra that share corners with two equivalent F(2)Li3V tetrahedra, corners with two equivalent F(16)Li4 tetrahedra, corners with two equivalent F(12)Li3V trigonal pyramids, corners with two equivalent F(8)Li4 trigonal pyramids, and edges with two equivalent F(5)Li3V trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.735
_cell_length_b   6.744
_cell_length_c   14.708
_cell_angle_alpha   89.201
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.497
_cell_formula_units_Z   4
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  0.000  0.943  0.129  1.0
  Li  Li1  1  0.000  0.825  0.734  1.0
  Li  Li2  1  0.500  0.676  0.229  1.0
  Li  Li3  1  0.500  0.573  0.643  1.0
  Li  Li4  1  0.000  0.435  0.368  1.0
  Li  Li5  1  0.000  0.312  0.757  1.0
  Li  Li6  1  0.500  0.188  0.255  1.0
  Li  Li7  1  0.500  0.057  0.865  1.0
  V  V8  1  0.000  0.891  0.427  1.0
  V  V9  1  0.500  0.598  0.933  1.0
  V  V10  1  0.000  0.403  0.068  1.0
  V  V11  1  0.500  0.123  0.568  1.0
  O  O12  1  0.500  0.930  0.451  1.0
  O  O13  1  0.000  0.553  0.954  1.0
  O  O14  1  0.500  0.448  0.050  1.0
  O  O15  1  0.500  0.333  0.509  1.0
  F  F16  1  0.500  0.944  0.187  1.0
  F  F17  1  0.500  0.869  0.645  1.0
  F  F18  1  0.500  0.846  0.983  1.0
  F  F19  1  0.000  0.761  0.319  1.0
  F  F20  1  0.500  0.744  0.822  1.0
  F  F21  1  0.000  0.642  0.481  1.0
  F  F22  1  0.000  0.635  0.143  1.0
  F  F23  1  0.000  0.558  0.692  1.0
  F  F24  1  0.500  0.447  0.307  1.0
  F  F25  1  0.500  0.364  0.862  1.0
  F  F26  1  0.000  0.255  0.182  1.0
  F  F27  1  0.500  0.252  0.686  1.0
  F  F28  1  0.000  0.154  0.020  1.0
  F  F29  1  0.000  0.137  0.359  1.0
  F  F30  1  0.000  0.046  0.559  1.0
  F  F31  1  0.000  0.056  0.812  1.0
[/CIF]
.
The material described by Li2VOF4 crystallizes in the monoclinic Pm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(11), one F(13), one F(7), and two equivalent F(1) atoms to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one V(3)O3F3 octahedra, corners with two equivalent Li(1)F5 trigonal bipyramids,  an edgeedge with one V(3)O3F3 octahedra, edges with two equivalent Li(3)F6 octahedra, and edges with two equivalent Li(7)F6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the second Li site, Li(2) is bonded to one F(16), one F(8), two equivalent F(2), and two equivalent F(5) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(6)F6 octahedra, corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(2)O3F3 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with two equivalent Li(8)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-65°. In the third Li site, Li(3) is bonded to one F(1), one F(9), two equivalent F(4), and two equivalent F(7) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(7)F6 octahedra, corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent V(3)O3F3 octahedra, edges with two equivalent Li(3)F6 octahedra, edges with two equivalent Li(1)F5 trigonal bipyramids, and edges with two equivalent Li(5)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-65°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(4), one F(12), one F(2), and two equivalent F(8) atoms. In the fifth Li site, Li(5) is bonded to one F(14), one F(4), one F(6), and two equivalent F(9) atoms to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one V(1)O2F4 octahedra, corners with two equivalent Li(5)F5 trigonal bipyramids,  an edgeedge with one V(1)O2F4 octahedra, edges with two equivalent Li(3)F6 octahedra, and edges with two equivalent Li(7)F6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the sixth Li site, Li(6) is bonded to one F(16), one F(8), two equivalent F(10), and two equivalent F(12) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(2)O3F3 octahedra, edges with two equivalent Li(6)F6 octahedra, and edges with two equivalent Li(8)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-62°. In the seventh Li site, Li(7) is bonded to one F(1), one F(9), two equivalent F(11), and two equivalent F(14) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(3)F6 octahedra, corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent V(3)O3F3 octahedra, edges with two equivalent Li(7)F6 octahedra, edges with two equivalent Li(1)F5 trigonal bipyramids, and edges with two equivalent Li(5)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-64°. In the eighth Li site, Li(8) is bonded to one F(10), one F(3), one F(5), and two equivalent F(16) atoms to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one V(2)O3F3 octahedra, corners with two equivalent Li(8)F5 trigonal bipyramids,  an edgeedge with one V(2)O3F3 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with two equivalent Li(6)F6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), one F(14), one F(15), one F(4), and one F(6) atom to form VO2F4 octahedra that share corners with two equivalent Li(3)F6 octahedra, corners with two equivalent Li(7)F6 octahedra, corners with two equivalent V(1)O2F4 octahedra,  a cornercorner with one Li(5)F5 trigonal bipyramid, edges with two equivalent V(4)O2F4 octahedra, and  an edgeedge with one Li(5)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-64°. In the second V site, V(2) is bonded to one O(3), two equivalent O(2), one F(10), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Li(6)F6 octahedra, corners with two equivalent V(2)O3F3 octahedra,  a cornercorner with one Li(8)F5 trigonal bipyramid, edges with two equivalent V(3)O3F3 octahedra, and  an edgeedge with one Li(8)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-62°. In the third V site, V(3) is bonded to one O(2), two equivalent O(3), one F(11), one F(13), and one F(7) atom to form VO3F3 octahedra that share corners with two equivalent Li(3)F6 octahedra, corners with two equivalent Li(7)F6 octahedra, corners with two equivalent V(3)O3F3 octahedra,  a cornercorner with one Li(1)F5 trigonal bipyramid, edges with two equivalent V(2)O3F3 octahedra, and  an edgeedge with one Li(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-65°. In the fourth V site, V(4) is bonded to one O(1), one O(4), one F(12), one F(2), and two equivalent F(15) atoms to form distorted VO2F4 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Li(6)F6 octahedra, corners with two equivalent V(4)O2F4 octahedra, and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-65°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(4) and one V(4) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Li(7), and two equivalent Li(1) atoms to form distorted FLi4 tetrahedra that share corners with two equivalent F(1)Li4 tetrahedra, corners with two equivalent F(9)Li4 tetrahedra, corners with two equivalent F(4)Li3V trigonal pyramids, edges with two equivalent F(11)Li3V trigonal pyramids, and edges with two equivalent F(7)Li3V trigonal pyramids. In the second F site, F(2) is bonded to one Li(4), two equivalent Li(2), and one V(4) atom to form distorted FLi3V tetrahedra that share corners with two equivalent F(2)Li3V tetrahedra, corners with two equivalent F(16)Li4 tetrahedra, corners with two equivalent F(12)Li3V trigonal pyramids, corners with two equivalent F(5)Li3V trigonal pyramids,  an edgeedge with one F(5)Li3V trigonal pyramid, and edges with two equivalent F(8)Li4 trigonal pyramids. In the third F site, F(3) is bonded in a water-like geometry to one Li(8) and one V(2) atom. In the fourth F site, F(4) is bonded to one Li(5), two equivalent Li(3), and one V(1) atom to form distorted FLi3V trigonal pyramids that share corners with two equivalent F(1)Li4 tetrahedra, corners with two equivalent F(4)Li3V trigonal pyramids, corners with two equivalent F(7)Li3V trigonal pyramids, edges with two equivalent F(9)Li4 tetrahedra, and  an edgeedge with one F(7)Li3V trigonal pyramid. In the fifth F site, F(5) is bonded to one Li(8), two equivalent Li(2), and one V(2) atom to form FLi3V trigonal pyramids that share corners with two equivalent F(2)Li3V tetrahedra, corners with two equivalent F(5)Li3V trigonal pyramids, corners with two equivalent F(8)Li4 trigonal pyramids,  an edgeedge with one F(2)Li3V tetrahedra, and edges with two equivalent F(16)Li4 tetrahedra. In the sixth F site, F(6) is bonded in a water-like geometry to one Li(5) and one V(1) atom. In the seventh F site, F(7) is bonded to one Li(1), two equivalent Li(3), and one V(3) atom to form distorted FLi3V trigonal pyramids that share corners with two equivalent F(9)Li4 tetrahedra, corners with two equivalent F(11)Li3V trigonal pyramids, corners with two equivalent F(4)Li3V trigonal pyramids, corners with two equivalent F(7)Li3V trigonal pyramids, edges with two equivalent F(1)Li4 tetrahedra, and  an edgeedge with one F(4)Li3V trigonal pyramid. In the eighth F site, F(8) is bonded to one Li(2), one Li(6), and two equivalent Li(4) atoms to form distorted FLi4 trigonal pyramids that share corners with two equivalent F(16)Li4 tetrahedra, corners with two equivalent F(5)Li3V trigonal pyramids, corners with two equivalent F(8)Li4 trigonal pyramids, edges with two equivalent F(2)Li3V tetrahedra, and edges with two equivalent F(12)Li3V trigonal pyramids. In the ninth F site, F(9) is bonded to one Li(3), one Li(7), and two equivalent Li(5) atoms to form FLi4 tetrahedra that share corners with two equivalent F(1)Li4 tetrahedra, corners with two equivalent F(9)Li4 tetrahedra, corners with two equivalent F(11)Li3V trigonal pyramids, corners with two equivalent F(7)Li3V trigonal pyramids, and edges with two equivalent F(4)Li3V trigonal pyramids. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(8), two equivalent Li(6), and one V(2) atom. In the eleventh F site, F(11) is bonded to one Li(1), two equivalent Li(7), and one V(3) atom to form FLi3V trigonal pyramids that share corners with two equivalent F(9)Li4 tetrahedra, corners with two equivalent F(11)Li3V trigonal pyramids, corners with two equivalent F(7)Li3V trigonal pyramids, and edges with two equivalent F(1)Li4 tetrahedra. In the twelfth F site, F(12) is bonded to one Li(4), two equivalent Li(6), and one V(4) atom to form FLi3V trigonal pyramids that share corners with two equivalent F(2)Li3V tetrahedra, corners with two equivalent F(16)Li4 tetrahedra, corners with two equivalent F(12)Li3V trigonal pyramids, and edges with two equivalent F(8)Li4 trigonal pyramids. In the thirteenth F site, F(13) is bonded in a water-like geometry to one Li(1) and one V(3) atom. In the fourteenth F site, F(14) is bonded in a 4-coordinate geometry to one Li(5), two equivalent Li(7), and one V(1) atom. In the fifteenth F site, F(15) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(4) atoms. In the sixteenth F site, F(16) is bonded to one Li(2), one Li(6), and two equivalent Li(8) atoms to form FLi4 tetrahedra that share corners with two equivalent F(2)Li3V tetrahedra, corners with two equivalent F(16)Li4 tetrahedra, corners with two equivalent F(12)Li3V trigonal pyramids, corners with two equivalent F(8)Li4 trigonal pyramids, and edges with two equivalent F(5)Li3V trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.735
_cell_length_b   6.744
_cell_length_c   14.708
_cell_angle_alpha   89.201
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.497
_cell_formula_units_Z   4
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  0.000  0.943  0.129  1.0
  Li  Li1  1  0.000  0.825  0.734  1.0
  Li  Li2  1  0.500  0.676  0.229  1.0
  Li  Li3  1  0.500  0.573  0.643  1.0
  Li  Li4  1  0.000  0.435  0.368  1.0
  Li  Li5  1  0.000  0.312  0.757  1.0
  Li  Li6  1  0.500  0.188  0.255  1.0
  Li  Li7  1  0.500  0.057  0.865  1.0
  V  V8  1  0.000  0.891  0.427  1.0
  V  V9  1  0.500  0.598  0.933  1.0
  V  V10  1  0.000  0.403  0.068  1.0
  V  V11  1  0.500  0.123  0.568  1.0
  O  O12  1  0.500  0.930  0.451  1.0
  O  O13  1  0.000  0.553  0.954  1.0
  O  O14  1  0.500  0.448  0.050  1.0
  O  O15  1  0.500  0.333  0.509  1.0
  F  F16  1  0.500  0.944  0.187  1.0
  F  F17  1  0.500  0.869  0.645  1.0
  F  F18  1  0.500  0.846  0.983  1.0
  F  F19  1  0.000  0.761  0.319  1.0
  F  F20  1  0.500  0.744  0.822  1.0
  F  F21  1  0.000  0.642  0.481  1.0
  F  F22  1  0.000  0.635  0.143  1.0
  F  F23  1  0.000  0.558  0.692  1.0
  F  F24  1  0.500  0.447  0.307  1.0
  F  F25  1  0.500  0.364  0.862  1.0
  F  F26  1  0.000  0.255  0.182  1.0
  F  F27  1  0.500  0.252  0.686  1.0
  F  F28  1  0.000  0.154  0.020  1.0
  F  F29  1  0.000  0.137  0.359  1.0
  F  F30  1  0.000  0.046  0.559  1.0
  F  F31  1  0.000  0.056  0.812  1.0
[/CIF]
.