The crystal structure described by LiVOF2 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one V(4)O2F4 octahedra, corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)OF5 octahedra, and corners with two equivalent Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. In the second Li site, Li(2) is bonded to one O(2), one O(4), one F(2), one F(4), one F(5), and one F(7) atom to form distorted LiO2F4 octahedra that share  a cornercorner with one V(4)O2F4 octahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(4)O2F4 octahedra,  an edgeedge with one V(1)O3F3 octahedra, edges with two equivalent Li(4)O2F4 octahedra, and edges with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third Li site, Li(3) is bonded to one O(1), one F(1), one F(3), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one Li(2)O2F4 octahedra, corners with two equivalent Li(4)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)OF5 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-73°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one F(2), one F(5), one F(7), and one F(8) atom to form LiO2F4 octahedra that share  a cornercorner with one V(4)O2F4 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one V(4)O2F4 octahedra,  an edgeedge with one V(3)OF5 octahedra, edges with two equivalent Li(2)O2F4 octahedra, and edges with two equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 56°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(8) atom to form VO3F3 octahedra that share corners with three equivalent V(4)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Li(2)O2F4 octahedra, and edges with two equivalent Li(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 7-45°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(5), and one F(6) atom. In the third V site, V(3) is bonded to one O(4), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form VOF5 octahedra that share  a cornercorner with one V(4)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Li(4)O2F4 octahedra,  an edgeedge with one V(4)O2F4 octahedra, and edges with two equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 56°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one F(4), one F(5), one F(6), and one F(8) atom to form VO2F4 octahedra that share  a cornercorner with one Li(2)O2F4 octahedra,  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with three equivalent V(1)O3F3 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(4)O2F4 octahedra, and  an edgeedge with one V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 4-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one V(1), and one V(2) atom to form OLi2V2 tetrahedra that share corners with two equivalent F(7)Li3V tetrahedra,  a cornercorner with one O(2)Li2V3 trigonal bipyramid,  an edgeedge with one F(5)Li2V3 square pyramid,  an edgeedge with one F(2)Li3V tetrahedra, and  an edgeedge with one O(2)Li2V3 trigonal bipyramid. In the second O site, O(2) is bonded to one Li(2), one Li(4), one V(1), one V(2), and one V(4) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(1)Li2V2 tetrahedra,  a cornercorner with one F(2)Li3V tetrahedra, edges with two equivalent F(5)Li2V3 square pyramids,  an edgeedge with one O(1)Li2V2 tetrahedra,  an edgeedge with one F(2)Li3V tetrahedra,  an edgeedge with one F(7)Li3V tetrahedra, and  an edgeedge with one F(4)Li2V2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one V(3) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one V(1) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(4), and one V(1) atom to form FLi3V tetrahedra that share corners with two equivalent F(7)Li3V tetrahedra,  a cornercorner with one O(2)Li2V3 trigonal bipyramid, corners with two equivalent F(4)Li2V2 trigonal pyramids,  an edgeedge with one F(5)Li2V3 square pyramid,  an edgeedge with one O(1)Li2V2 tetrahedra, and  an edgeedge with one O(2)Li2V3 trigonal bipyramid. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one V(3) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one V(3), and one V(4) atom to form distorted FLi2V2 trigonal pyramids that share  a cornercorner with one F(5)Li2V3 square pyramid, corners with two equivalent F(2)Li3V tetrahedra,  an edgeedge with one F(5)Li2V3 square pyramid,  an edgeedge with one F(7)Li3V tetrahedra, and  an edgeedge with one O(2)Li2V3 trigonal bipyramid. In the fifth F site, F(5) is bonded to one Li(2), one Li(4), one V(2), one V(3), and one V(4) atom to form distorted FLi2V3 square pyramids that share  a cornercorner with one F(7)Li3V tetrahedra,  a cornercorner with one F(4)Li2V2 trigonal pyramid,  an edgeedge with one O(1)Li2V2 tetrahedra,  an edgeedge with one F(2)Li3V tetrahedra,  an edgeedge with one F(7)Li3V tetrahedra, edges with two equivalent O(2)Li2V3 trigonal bipyramids, and  an edgeedge with one F(4)Li2V2 trigonal pyramid. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(4) atom. In the seventh F site, F(7) is bonded to one Li(2), one Li(3), one Li(4), and one V(3) atom to form FLi3V tetrahedra that share  a cornercorner with one F(5)Li2V3 square pyramid, corners with two equivalent O(1)Li2V2 tetrahedra, corners with two equivalent F(2)Li3V tetrahedra,  an edgeedge with one F(5)Li2V3 square pyramid,  an edgeedge with one O(2)Li2V3 trigonal bipyramid, and  an edgeedge with one F(4)Li2V2 trigonal pyramid. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one V(4) atom. is represented by the CIF file [CIF]
data_LiVOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.275
_cell_length_b   8.824
_cell_length_c   12.622
_cell_angle_alpha   49.144
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.418
_cell_formula_units_Z   8
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  0.072  0.830  0.001  1.0
  Li  Li1  1  0.093  0.953  0.214  1.0
  Li  Li2  1  0.907  0.953  0.714  1.0
  Li  Li3  1  0.928  0.830  0.501  1.0
  Li  Li4  1  0.573  0.635  0.006  1.0
  Li  Li5  1  0.588  0.154  0.196  1.0
  Li  Li6  1  0.412  0.154  0.696  1.0
  Li  Li7  1  0.427  0.635  0.506  1.0
  V  V8  1  0.077  0.322  0.191  1.0
  V  V9  1  0.041  0.437  0.420  1.0
  V  V10  1  0.959  0.437  0.920  1.0
  V  V11  1  0.923  0.322  0.691  1.0
  V  V12  1  0.604  0.790  0.196  1.0
  V  V13  1  0.610  0.239  0.434  1.0
  V  V14  1  0.390  0.239  0.934  1.0
  V  V15  1  0.396  0.790  0.696  1.0
  O  O16  1  0.204  0.417  0.563  1.0
  O  O17  1  0.238  0.259  0.068  1.0
  O  O18  1  0.076  0.337  0.827  1.0
  O  O19  1  0.094  0.699  0.796  1.0
  O  O20  1  0.906  0.699  0.296  1.0
  O  O21  1  0.924  0.337  0.327  1.0
  O  O22  1  0.762  0.259  0.568  1.0
  O  O23  1  0.796  0.417  0.063  1.0
  F  F24  1  0.240  0.593  0.074  1.0
  F  F25  1  0.080  0.039  0.804  1.0
  F  F26  1  0.920  0.039  0.304  1.0
  F  F27  1  0.760  0.593  0.574  1.0
  F  F28  1  0.725  0.773  0.057  1.0
  F  F29  1  0.722  0.939  0.567  1.0
  F  F30  1  0.711  0.097  0.064  1.0
  F  F31  1  0.579  0.514  0.822  1.0
  F  F32  1  0.571  0.853  0.803  1.0
  F  F33  1  0.579  0.208  0.807  1.0
  F  F34  1  0.421  0.208  0.307  1.0
  F  F35  1  0.429  0.853  0.303  1.0
  F  F36  1  0.421  0.514  0.322  1.0
  F  F37  1  0.289  0.097  0.564  1.0
  F  F38  1  0.278  0.939  0.067  1.0
  F  F39  1  0.275  0.773  0.557  1.0
[/CIF]
.
The crystal structure described by LiVOF2 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one V(4)O2F4 octahedra, corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)OF5 octahedra, and corners with two equivalent Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. In the second Li site, Li(2) is bonded to one O(2), one O(4), one F(2), one F(4), one F(5), and one F(7) atom to form distorted LiO2F4 octahedra that share  a cornercorner with one V(4)O2F4 octahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(4)O2F4 octahedra,  an edgeedge with one V(1)O3F3 octahedra, edges with two equivalent Li(4)O2F4 octahedra, and edges with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third Li site, Li(3) is bonded to one O(1), one F(1), one F(3), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one Li(2)O2F4 octahedra, corners with two equivalent Li(4)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)OF5 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-73°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one F(2), one F(5), one F(7), and one F(8) atom to form LiO2F4 octahedra that share  a cornercorner with one V(4)O2F4 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one V(4)O2F4 octahedra,  an edgeedge with one V(3)OF5 octahedra, edges with two equivalent Li(2)O2F4 octahedra, and edges with two equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 56°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(8) atom to form VO3F3 octahedra that share corners with three equivalent V(4)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Li(2)O2F4 octahedra, and edges with two equivalent Li(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 7-45°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(5), and one F(6) atom. In the third V site, V(3) is bonded to one O(4), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form VOF5 octahedra that share  a cornercorner with one V(4)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Li(4)O2F4 octahedra,  an edgeedge with one V(4)O2F4 octahedra, and edges with two equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 56°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one F(4), one F(5), one F(6), and one F(8) atom to form VO2F4 octahedra that share  a cornercorner with one Li(2)O2F4 octahedra,  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with three equivalent V(1)O3F3 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(4)O2F4 octahedra, and  an edgeedge with one V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 4-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one V(1), and one V(2) atom to form OLi2V2 tetrahedra that share corners with two equivalent F(7)Li3V tetrahedra,  a cornercorner with one O(2)Li2V3 trigonal bipyramid,  an edgeedge with one F(5)Li2V3 square pyramid,  an edgeedge with one F(2)Li3V tetrahedra, and  an edgeedge with one O(2)Li2V3 trigonal bipyramid. In the second O site, O(2) is bonded to one Li(2), one Li(4), one V(1), one V(2), and one V(4) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(1)Li2V2 tetrahedra,  a cornercorner with one F(2)Li3V tetrahedra, edges with two equivalent F(5)Li2V3 square pyramids,  an edgeedge with one O(1)Li2V2 tetrahedra,  an edgeedge with one F(2)Li3V tetrahedra,  an edgeedge with one F(7)Li3V tetrahedra, and  an edgeedge with one F(4)Li2V2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one V(3) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one V(1) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(4), and one V(1) atom to form FLi3V tetrahedra that share corners with two equivalent F(7)Li3V tetrahedra,  a cornercorner with one O(2)Li2V3 trigonal bipyramid, corners with two equivalent F(4)Li2V2 trigonal pyramids,  an edgeedge with one F(5)Li2V3 square pyramid,  an edgeedge with one O(1)Li2V2 tetrahedra, and  an edgeedge with one O(2)Li2V3 trigonal bipyramid. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one V(3) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one V(3), and one V(4) atom to form distorted FLi2V2 trigonal pyramids that share  a cornercorner with one F(5)Li2V3 square pyramid, corners with two equivalent F(2)Li3V tetrahedra,  an edgeedge with one F(5)Li2V3 square pyramid,  an edgeedge with one F(7)Li3V tetrahedra, and  an edgeedge with one O(2)Li2V3 trigonal bipyramid. In the fifth F site, F(5) is bonded to one Li(2), one Li(4), one V(2), one V(3), and one V(4) atom to form distorted FLi2V3 square pyramids that share  a cornercorner with one F(7)Li3V tetrahedra,  a cornercorner with one F(4)Li2V2 trigonal pyramid,  an edgeedge with one O(1)Li2V2 tetrahedra,  an edgeedge with one F(2)Li3V tetrahedra,  an edgeedge with one F(7)Li3V tetrahedra, edges with two equivalent O(2)Li2V3 trigonal bipyramids, and  an edgeedge with one F(4)Li2V2 trigonal pyramid. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(4) atom. In the seventh F site, F(7) is bonded to one Li(2), one Li(3), one Li(4), and one V(3) atom to form FLi3V tetrahedra that share  a cornercorner with one F(5)Li2V3 square pyramid, corners with two equivalent O(1)Li2V2 tetrahedra, corners with two equivalent F(2)Li3V tetrahedra,  an edgeedge with one F(5)Li2V3 square pyramid,  an edgeedge with one O(2)Li2V3 trigonal bipyramid, and  an edgeedge with one F(4)Li2V2 trigonal pyramid. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one V(4) atom. is represented by the CIF file [CIF]
data_LiVOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.275
_cell_length_b   8.824
_cell_length_c   12.622
_cell_angle_alpha   49.144
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.418
_cell_formula_units_Z   8
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  0.072  0.830  0.001  1.0
  Li  Li1  1  0.093  0.953  0.214  1.0
  Li  Li2  1  0.907  0.953  0.714  1.0
  Li  Li3  1  0.928  0.830  0.501  1.0
  Li  Li4  1  0.573  0.635  0.006  1.0
  Li  Li5  1  0.588  0.154  0.196  1.0
  Li  Li6  1  0.412  0.154  0.696  1.0
  Li  Li7  1  0.427  0.635  0.506  1.0
  V  V8  1  0.077  0.322  0.191  1.0
  V  V9  1  0.041  0.437  0.420  1.0
  V  V10  1  0.959  0.437  0.920  1.0
  V  V11  1  0.923  0.322  0.691  1.0
  V  V12  1  0.604  0.790  0.196  1.0
  V  V13  1  0.610  0.239  0.434  1.0
  V  V14  1  0.390  0.239  0.934  1.0
  V  V15  1  0.396  0.790  0.696  1.0
  O  O16  1  0.204  0.417  0.563  1.0
  O  O17  1  0.238  0.259  0.068  1.0
  O  O18  1  0.076  0.337  0.827  1.0
  O  O19  1  0.094  0.699  0.796  1.0
  O  O20  1  0.906  0.699  0.296  1.0
  O  O21  1  0.924  0.337  0.327  1.0
  O  O22  1  0.762  0.259  0.568  1.0
  O  O23  1  0.796  0.417  0.063  1.0
  F  F24  1  0.240  0.593  0.074  1.0
  F  F25  1  0.080  0.039  0.804  1.0
  F  F26  1  0.920  0.039  0.304  1.0
  F  F27  1  0.760  0.593  0.574  1.0
  F  F28  1  0.725  0.773  0.057  1.0
  F  F29  1  0.722  0.939  0.567  1.0
  F  F30  1  0.711  0.097  0.064  1.0
  F  F31  1  0.579  0.514  0.822  1.0
  F  F32  1  0.571  0.853  0.803  1.0
  F  F33  1  0.579  0.208  0.807  1.0
  F  F34  1  0.421  0.208  0.307  1.0
  F  F35  1  0.429  0.853  0.303  1.0
  F  F36  1  0.421  0.514  0.322  1.0
  F  F37  1  0.289  0.097  0.564  1.0
  F  F38  1  0.278  0.939  0.067  1.0
  F  F39  1  0.275  0.773  0.557  1.0
[/CIF]
.