The material described by Li5VO3F2 crystallizes in the triclinic P1 space group. There are twenty inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(6), one O(9), two equivalent O(1), and one F(5) atom to form distorted LiO4F trigonal pyramids that share  a cornercorner with one Li(14)O2F3 trigonal bipyramid,  a cornercorner with one Li(5)O2F3 trigonal bipyramid, corners with two equivalent Li(1)O4F trigonal pyramids,  an edgeedge with one V(1)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one Li(5)O2F3 trigonal bipyramid, and edges with two equivalent Li(13)O2F3 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(10), two equivalent O(2), and one F(6) atom to form distorted LiO3F trigonal pyramids that share corners with two equivalent V(3)O4F2 octahedra, corners with two equivalent Li(6)O2F3 trigonal bipyramids, corners with two equivalent Li(2)O3F trigonal pyramids,  an edgeedge with one V(2)O4F2 octahedra, and edges with two equivalent Li(14)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 82°. In the third Li site, Li(3) is bonded to one O(11), two equivalent O(3), and one F(7) atom to form distorted LiO3F trigonal pyramids that share corners with two equivalent V(4)O4F2 octahedra, corners with two equivalent Li(7)O2F3 trigonal bipyramids, corners with two equivalent Li(3)O3F trigonal pyramids,  an edgeedge with one V(3)O4F2 octahedra, and edges with two equivalent Li(15)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 82°. In the fourth Li site, Li(4) is bonded to one O(12), one O(5), two equivalent O(4), and one F(8) atom to form distorted LiO4F trigonal pyramids that share  a cornercorner with one Li(13)O2F3 trigonal bipyramid,  a cornercorner with one Li(8)O2F3 trigonal bipyramid, corners with two equivalent Li(4)O4F trigonal pyramids,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(8)O2F3 trigonal bipyramid, and edges with two equivalent Li(16)O2F3 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(6), one O(9), one F(5), and two equivalent F(1) atoms to form LiO2F3 trigonal bipyramids that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(14)O2F3 trigonal bipyramid, corners with two equivalent Li(5)O2F3 trigonal bipyramids,  a cornercorner with one Li(1)O4F trigonal pyramid, edges with two equivalent V(2)O4F2 octahedra, edges with two equivalent Li(13)O2F3 trigonal bipyramids, and  an edgeedge with one Li(1)O4F trigonal pyramid. The corner-sharing octahedral tilt angles range from 8-14°. In the sixth Li site, Li(6) is bonded to one O(10), one O(7), one F(6), and two equivalent F(2) atoms to form LiO2F3 trigonal bipyramids that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(15)O2F3 trigonal bipyramid, corners with two equivalent Li(6)O2F3 trigonal bipyramids, corners with two equivalent Li(2)O3F trigonal pyramids, edges with two equivalent V(3)O4F2 octahedra, and edges with two equivalent Li(14)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-15°. In the seventh Li site, Li(7) is bonded to one O(11), one O(8), one F(7), and two equivalent F(3) atoms to form LiO2F3 trigonal bipyramids that share corners with two equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(16)O2F3 trigonal bipyramid, corners with two equivalent Li(7)O2F3 trigonal bipyramids, corners with two equivalent Li(3)O3F trigonal pyramids, edges with two equivalent V(4)O4F2 octahedra, and edges with two equivalent Li(15)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-14°. In the eighth Li site, Li(8) is bonded to one O(12), one O(5), one F(8), and two equivalent F(4) atoms to form LiO2F3 trigonal bipyramids that share corners with two equivalent V(4)O4F2 octahedra,  a cornercorner with one Li(13)O2F3 trigonal bipyramid, corners with two equivalent Li(8)O2F3 trigonal bipyramids,  a cornercorner with one Li(4)O4F trigonal pyramid, edges with two equivalent V(1)O4F2 octahedra, edges with two equivalent Li(16)O2F3 trigonal bipyramids, and  an edgeedge with one Li(4)O4F trigonal pyramid. The corner-sharing octahedral tilt angles range from 7-14°. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(1), one O(5), two equivalent O(9), and one F(1) atom. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(2), one O(6), two equivalent O(10), and one F(2) atom. In the eleventh Li site, Li(11) is bonded in a 5-coordinate geometry to one O(3), one O(7), two equivalent O(11), and one F(3) atom. In the twelfth Li site, Li(12) is bonded in a 5-coordinate geometry to one O(4), one O(8), two equivalent O(12), and one F(4) atom. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(5), one F(1), and two equivalent F(5) atoms to form LiO2F3 trigonal bipyramids that share  a cornercorner with one Li(8)O2F3 trigonal bipyramid, corners with two equivalent Li(13)O2F3 trigonal bipyramids,  a cornercorner with one Li(4)O4F trigonal pyramid,  an edgeedge with one V(2)O4F2 octahedra, edges with two equivalent V(1)O4F2 octahedra, edges with two equivalent Li(5)O2F3 trigonal bipyramids, and edges with two equivalent Li(1)O4F trigonal pyramids. In the fourteenth Li site, Li(14) is bonded to one O(2), one O(6), one F(2), and two equivalent F(6) atoms to form LiO2F3 trigonal bipyramids that share  a cornercorner with one Li(5)O2F3 trigonal bipyramid, corners with two equivalent Li(14)O2F3 trigonal bipyramids,  a cornercorner with one Li(1)O4F trigonal pyramid,  an edgeedge with one V(3)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra, edges with two equivalent Li(6)O2F3 trigonal bipyramids, and edges with two equivalent Li(2)O3F trigonal pyramids. In the fifteenth Li site, Li(15) is bonded to one O(3), one O(7), one F(3), and two equivalent F(7) atoms to form LiO2F3 trigonal bipyramids that share  a cornercorner with one Li(6)O2F3 trigonal bipyramid, corners with two equivalent Li(15)O2F3 trigonal bipyramids,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(3)O4F2 octahedra, edges with two equivalent Li(7)O2F3 trigonal bipyramids, and edges with two equivalent Li(3)O3F trigonal pyramids. In the sixteenth Li site, Li(16) is bonded to one O(4), one O(8), one F(4), and two equivalent F(8) atoms to form LiO2F3 trigonal bipyramids that share  a cornercorner with one Li(7)O2F3 trigonal bipyramid, corners with two equivalent Li(16)O2F3 trigonal bipyramids,  an edgeedge with one V(1)O4F2 octahedra, edges with two equivalent V(4)O4F2 octahedra, edges with two equivalent Li(8)O2F3 trigonal bipyramids, and edges with two equivalent Li(4)O4F trigonal pyramids. In the seventeenth Li site, Li(17) is bonded in a distorted T-shaped geometry to one O(4), one O(9), and one F(5) atom. In the eighteenth Li site, Li(18) is bonded in a distorted T-shaped geometry to one O(1), one O(10), and one F(6) atom. In the nineteenth Li site, Li(19) is bonded in a distorted T-shaped geometry to one O(11), one O(2), and one F(7) atom. In the twentieth Li site, Li(20) is bonded in a distorted T-shaped geometry to one O(12), one O(3), and one F(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(9), two equivalent O(5), one F(4), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Li(5)O2F3 trigonal bipyramids,  an edgeedge with one Li(16)O2F3 trigonal bipyramid, edges with two equivalent Li(13)O2F3 trigonal bipyramids, edges with two equivalent Li(8)O2F3 trigonal bipyramids,  an edgeedge with one Li(1)O4F trigonal pyramid, and edges with two equivalent Li(4)O4F trigonal pyramids. The corner-sharing octahedral tilt angles are 26°. In the second V site, V(2) is bonded to one O(1), one O(10), two equivalent O(6), one F(1), and one F(6) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent Li(6)O2F3 trigonal bipyramids,  an edgeedge with one Li(13)O2F3 trigonal bipyramid, edges with two equivalent Li(14)O2F3 trigonal bipyramids, edges with two equivalent Li(5)O2F3 trigonal bipyramids,  an edgeedge with one Li(2)O3F trigonal pyramid, and edges with two equivalent Li(1)O4F trigonal pyramids. The corner-sharing octahedral tilt angles are 26°. In the third V site, V(3) is bonded to one O(11), one O(2), two equivalent O(7), one F(2), and one F(7) atom to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with two equivalent Li(7)O2F3 trigonal bipyramids, corners with two equivalent Li(2)O3F trigonal pyramids,  an edgeedge with one Li(14)O2F3 trigonal bipyramid, edges with two equivalent Li(15)O2F3 trigonal bipyramids, edges with two equivalent Li(6)O2F3 trigonal bipyramids, and  an edgeedge with one Li(3)O3F trigonal pyramid. The corner-sharing octahedral tilt angles are 26°. In the fourth V site, V(4) is bonded to one O(12), one O(3), two equivalent O(8), one F(3), and one F(8) atom to form VO4F2 octahedra that share corners with two equivalent V(4)O4F2 octahedra, corners with two equivalent Li(8)O2F3 trigonal bipyramids, corners with two equivalent Li(3)O3F trigonal pyramids,  an edgeedge with one Li(15)O2F3 trigonal bipyramid, edges with two equivalent Li(16)O2F3 trigonal bipyramids, edges with two equivalent Li(7)O2F3 trigonal bipyramids, and  an edgeedge with one Li(4)O4F trigonal pyramid. The corner-sharing octahedral tilt angles are 26°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(13), one Li(18), one Li(9), two equivalent Li(1), and one V(2) atom to form OLi5V octahedra that share corners with two equivalent O(1)Li5V octahedra, corners with two equivalent F(6)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  an edgeedge with one O(10)Li5V octahedra, edges with two equivalent O(9)Li5V octahedra, edges with two equivalent F(5)Li5V octahedra, and  an edgeedge with one F(1)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-25°. In the second O site, O(2) is bonded to one Li(10), one Li(14), one Li(19), two equivalent Li(2), and one V(3) atom to form OLi5V octahedra that share corners with two equivalent O(2)Li5V octahedra, corners with two equivalent F(7)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid,  an edgeedge with one O(11)Li5V octahedra, edges with two equivalent O(10)Li5V octahedra, edges with two equivalent F(6)Li5V octahedra, and  an edgeedge with one F(2)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-25°. In the third O site, O(3) is bonded to one Li(11), one Li(15), one Li(20), two equivalent Li(3), and one V(4) atom to form OLi5V octahedra that share corners with two equivalent O(3)Li5V octahedra, corners with two equivalent F(8)Li5V octahedra,  a cornercorner with one F(3)Li4V trigonal bipyramid,  an edgeedge with one O(12)Li5V octahedra, edges with two equivalent O(11)Li5V octahedra, edges with two equivalent F(7)Li5V octahedra, and  an edgeedge with one F(3)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-25°. In the fourth O site, O(4) is bonded to one Li(12), one Li(16), one Li(17), two equivalent Li(4), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(4)Li5V octahedra, corners with two equivalent F(5)Li5V octahedra,  a cornercorner with one F(4)Li4V trigonal bipyramid,  an edgeedge with one O(9)Li5V octahedra, edges with two equivalent O(12)Li5V octahedra, edges with two equivalent F(8)Li5V octahedra, and  an edgeedge with one F(4)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-25°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(13), one Li(4), one Li(8), one Li(9), and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(5), and two equivalent V(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(11), one Li(15), one Li(6), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(12), one Li(16), one Li(7), and two equivalent V(4) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Li(17), one Li(5), two equivalent Li(9), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(9)Li5V octahedra,  a cornercorner with one F(4)Li4V trigonal bipyramid,  an edgeedge with one O(4)Li5V octahedra, edges with two equivalent O(1)Li5V octahedra, edges with two equivalent F(5)Li5V octahedra, and edges with two equivalent F(1)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. In the tenth O site, O(10) is bonded to one Li(18), one Li(2), one Li(6), two equivalent Li(10), and one V(2) atom to form OLi5V octahedra that share corners with two equivalent O(10)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  an edgeedge with one O(1)Li5V octahedra, edges with two equivalent O(2)Li5V octahedra, edges with two equivalent F(6)Li5V octahedra, and edges with two equivalent F(2)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. In the eleventh O site, O(11) is bonded to one Li(19), one Li(3), one Li(7), two equivalent Li(11), and one V(3) atom to form OLi5V octahedra that share corners with two equivalent O(11)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid,  an edgeedge with one O(2)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, edges with two equivalent F(7)Li5V octahedra, and edges with two equivalent F(3)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. In the twelfth O site, O(12) is bonded to one Li(20), one Li(4), one Li(8), two equivalent Li(12), and one V(4) atom to form OLi5V octahedra that share corners with two equivalent O(12)Li5V octahedra,  a cornercorner with one F(3)Li4V trigonal bipyramid,  an edgeedge with one O(3)Li5V octahedra, edges with two equivalent O(4)Li5V octahedra, edges with two equivalent F(8)Li5V octahedra, and edges with two equivalent F(4)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one Li(13), one Li(9), two equivalent Li(5), and one V(2) atom to form FLi4V trigonal bipyramids that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(10)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra, corners with two equivalent F(1)Li4V trigonal bipyramids,  an edgeedge with one O(1)Li5V octahedra, edges with two equivalent O(9)Li5V octahedra, and edges with two equivalent F(5)Li5V octahedra. The corner-sharing octahedral tilt angles range from 1-89°. In the second F site, F(2) is bonded to one Li(10), one Li(14), two equivalent Li(6), and one V(3) atom to form FLi4V trigonal bipyramids that share  a cornercorner with one O(11)Li5V octahedra,  a cornercorner with one O(2)Li5V octahedra,  a cornercorner with one F(7)Li5V octahedra, corners with two equivalent F(2)Li4V trigonal bipyramids,  an edgeedge with one O(2)Li5V octahedra, edges with two equivalent O(10)Li5V octahedra, and edges with two equivalent F(6)Li5V octahedra. The corner-sharing octahedral tilt angles range from 1-89°. In the third F site, F(3) is bonded to one Li(11), one Li(15), two equivalent Li(7), and one V(4) atom to form FLi4V trigonal bipyramids that share  a cornercorner with one O(12)Li5V octahedra,  a cornercorner with one O(3)Li5V octahedra,  a cornercorner with one F(8)Li5V octahedra, corners with two equivalent F(3)Li4V trigonal bipyramids,  an edgeedge with one O(3)Li5V octahedra, edges with two equivalent O(11)Li5V octahedra, and edges with two equivalent F(7)Li5V octahedra. The corner-sharing octahedral tilt angles range from 1-88°. In the fourth F site, F(4) is bonded to one Li(12), one Li(16), two equivalent Li(8), and one V(1) atom to form FLi4V trigonal bipyramids that share  a cornercorner with one O(4)Li5V octahedra,  a cornercorner with one O(9)Li5V octahedra,  a cornercorner with one F(5)Li5V octahedra, corners with two equivalent F(4)Li4V trigonal bipyramids,  an edgeedge with one O(4)Li5V octahedra, edges with two equivalent O(12)Li5V octahedra, and edges with two equivalent F(8)Li5V octahedra. The corner-sharing octahedral tilt angles range from 1-89°. In the fifth F site, F(5) is bonded to one Li(1), one Li(17), one Li(5), two equivalent Li(13), and one V(1) atom to form distorted FLi5V octahedra that share corners with two equivalent O(4)Li5V octahedra, corners with two equivalent F(5)Li5V octahedra,  a cornercorner with one F(4)Li4V trigonal bipyramid, edges with two equivalent O(1)Li5V octahedra, edges with two equivalent O(9)Li5V octahedra, and edges with two equivalent F(1)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-26°. In the sixth F site, F(6) is bonded to one Li(18), one Li(2), one Li(6), two equivalent Li(14), and one V(2) atom to form distorted FLi5V octahedra that share corners with two equivalent O(1)Li5V octahedra, corners with two equivalent F(6)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid, edges with two equivalent O(10)Li5V octahedra, edges with two equivalent O(2)Li5V octahedra, and edges with two equivalent F(2)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-26°. In the seventh F site, F(7) is bonded to one Li(19), one Li(3), one Li(7), two equivalent Li(15), and one V(3) atom to form distorted FLi5V octahedra that share corners with two equivalent O(2)Li5V octahedra, corners with two equivalent F(7)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid, edges with two equivalent O(11)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, and edges with two equivalent F(3)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-25°. In the eighth F site, F(8) is bonded to one Li(20), one Li(4), one Li(8), two equivalent Li(16), and one V(4) atom to form distorted FLi5V octahedra that share corners with two equivalent O(3)Li5V octahedra, corners with two equivalent F(8)Li5V octahedra,  a cornercorner with one F(3)Li4V trigonal bipyramid, edges with two equivalent O(12)Li5V octahedra, edges with two equivalent O(4)Li5V octahedra, and edges with two equivalent F(4)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-26°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5VO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.921
_cell_length_b   5.382
_cell_length_c   6.066
_cell_angle_alpha   111.475
_cell_angle_beta   90.019
_cell_angle_gamma   111.357
_symmetry_Int_Tables_number   1
_cell_volume   109.609
_cell_formula_units_Z   1
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
  F  F0  1  0.195  0.386  0.327  1.0
  F  F1  1  0.850  0.696  0.202  1.0
  Li  Li2  1  0.683  0.364  0.847  1.0
  Li  Li3  1  0.693  0.382  0.345  1.0
  Li  Li4  1  0.285  0.567  0.685  1.0
  Li  Li5  1  0.317  0.631  0.126  1.0
  Li  Li6  1  0.965  0.930  0.540  1.0
  O  O7  1  0.137  0.270  0.822  1.0
  O  O8  1  0.501  0.998  0.067  1.0
  O  O9  1  0.830  0.657  0.690  1.0
  V  V10  1  0.001  0.998  0.992  1.0
[/CIF]
.
The material described by Li5VO3F2 crystallizes in the triclinic P1 space group. There are twenty inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(6), one O(9), two equivalent O(1), and one F(5) atom to form distorted LiO4F trigonal pyramids that share  a cornercorner with one Li(14)O2F3 trigonal bipyramid,  a cornercorner with one Li(5)O2F3 trigonal bipyramid, corners with two equivalent Li(1)O4F trigonal pyramids,  an edgeedge with one V(1)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one Li(5)O2F3 trigonal bipyramid, and edges with two equivalent Li(13)O2F3 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(10), two equivalent O(2), and one F(6) atom to form distorted LiO3F trigonal pyramids that share corners with two equivalent V(3)O4F2 octahedra, corners with two equivalent Li(6)O2F3 trigonal bipyramids, corners with two equivalent Li(2)O3F trigonal pyramids,  an edgeedge with one V(2)O4F2 octahedra, and edges with two equivalent Li(14)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 82°. In the third Li site, Li(3) is bonded to one O(11), two equivalent O(3), and one F(7) atom to form distorted LiO3F trigonal pyramids that share corners with two equivalent V(4)O4F2 octahedra, corners with two equivalent Li(7)O2F3 trigonal bipyramids, corners with two equivalent Li(3)O3F trigonal pyramids,  an edgeedge with one V(3)O4F2 octahedra, and edges with two equivalent Li(15)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 82°. In the fourth Li site, Li(4) is bonded to one O(12), one O(5), two equivalent O(4), and one F(8) atom to form distorted LiO4F trigonal pyramids that share  a cornercorner with one Li(13)O2F3 trigonal bipyramid,  a cornercorner with one Li(8)O2F3 trigonal bipyramid, corners with two equivalent Li(4)O4F trigonal pyramids,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(8)O2F3 trigonal bipyramid, and edges with two equivalent Li(16)O2F3 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(6), one O(9), one F(5), and two equivalent F(1) atoms to form LiO2F3 trigonal bipyramids that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(14)O2F3 trigonal bipyramid, corners with two equivalent Li(5)O2F3 trigonal bipyramids,  a cornercorner with one Li(1)O4F trigonal pyramid, edges with two equivalent V(2)O4F2 octahedra, edges with two equivalent Li(13)O2F3 trigonal bipyramids, and  an edgeedge with one Li(1)O4F trigonal pyramid. The corner-sharing octahedral tilt angles range from 8-14°. In the sixth Li site, Li(6) is bonded to one O(10), one O(7), one F(6), and two equivalent F(2) atoms to form LiO2F3 trigonal bipyramids that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(15)O2F3 trigonal bipyramid, corners with two equivalent Li(6)O2F3 trigonal bipyramids, corners with two equivalent Li(2)O3F trigonal pyramids, edges with two equivalent V(3)O4F2 octahedra, and edges with two equivalent Li(14)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-15°. In the seventh Li site, Li(7) is bonded to one O(11), one O(8), one F(7), and two equivalent F(3) atoms to form LiO2F3 trigonal bipyramids that share corners with two equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(16)O2F3 trigonal bipyramid, corners with two equivalent Li(7)O2F3 trigonal bipyramids, corners with two equivalent Li(3)O3F trigonal pyramids, edges with two equivalent V(4)O4F2 octahedra, and edges with two equivalent Li(15)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-14°. In the eighth Li site, Li(8) is bonded to one O(12), one O(5), one F(8), and two equivalent F(4) atoms to form LiO2F3 trigonal bipyramids that share corners with two equivalent V(4)O4F2 octahedra,  a cornercorner with one Li(13)O2F3 trigonal bipyramid, corners with two equivalent Li(8)O2F3 trigonal bipyramids,  a cornercorner with one Li(4)O4F trigonal pyramid, edges with two equivalent V(1)O4F2 octahedra, edges with two equivalent Li(16)O2F3 trigonal bipyramids, and  an edgeedge with one Li(4)O4F trigonal pyramid. The corner-sharing octahedral tilt angles range from 7-14°. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(1), one O(5), two equivalent O(9), and one F(1) atom. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(2), one O(6), two equivalent O(10), and one F(2) atom. In the eleventh Li site, Li(11) is bonded in a 5-coordinate geometry to one O(3), one O(7), two equivalent O(11), and one F(3) atom. In the twelfth Li site, Li(12) is bonded in a 5-coordinate geometry to one O(4), one O(8), two equivalent O(12), and one F(4) atom. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(5), one F(1), and two equivalent F(5) atoms to form LiO2F3 trigonal bipyramids that share  a cornercorner with one Li(8)O2F3 trigonal bipyramid, corners with two equivalent Li(13)O2F3 trigonal bipyramids,  a cornercorner with one Li(4)O4F trigonal pyramid,  an edgeedge with one V(2)O4F2 octahedra, edges with two equivalent V(1)O4F2 octahedra, edges with two equivalent Li(5)O2F3 trigonal bipyramids, and edges with two equivalent Li(1)O4F trigonal pyramids. In the fourteenth Li site, Li(14) is bonded to one O(2), one O(6), one F(2), and two equivalent F(6) atoms to form LiO2F3 trigonal bipyramids that share  a cornercorner with one Li(5)O2F3 trigonal bipyramid, corners with two equivalent Li(14)O2F3 trigonal bipyramids,  a cornercorner with one Li(1)O4F trigonal pyramid,  an edgeedge with one V(3)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra, edges with two equivalent Li(6)O2F3 trigonal bipyramids, and edges with two equivalent Li(2)O3F trigonal pyramids. In the fifteenth Li site, Li(15) is bonded to one O(3), one O(7), one F(3), and two equivalent F(7) atoms to form LiO2F3 trigonal bipyramids that share  a cornercorner with one Li(6)O2F3 trigonal bipyramid, corners with two equivalent Li(15)O2F3 trigonal bipyramids,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(3)O4F2 octahedra, edges with two equivalent Li(7)O2F3 trigonal bipyramids, and edges with two equivalent Li(3)O3F trigonal pyramids. In the sixteenth Li site, Li(16) is bonded to one O(4), one O(8), one F(4), and two equivalent F(8) atoms to form LiO2F3 trigonal bipyramids that share  a cornercorner with one Li(7)O2F3 trigonal bipyramid, corners with two equivalent Li(16)O2F3 trigonal bipyramids,  an edgeedge with one V(1)O4F2 octahedra, edges with two equivalent V(4)O4F2 octahedra, edges with two equivalent Li(8)O2F3 trigonal bipyramids, and edges with two equivalent Li(4)O4F trigonal pyramids. In the seventeenth Li site, Li(17) is bonded in a distorted T-shaped geometry to one O(4), one O(9), and one F(5) atom. In the eighteenth Li site, Li(18) is bonded in a distorted T-shaped geometry to one O(1), one O(10), and one F(6) atom. In the nineteenth Li site, Li(19) is bonded in a distorted T-shaped geometry to one O(11), one O(2), and one F(7) atom. In the twentieth Li site, Li(20) is bonded in a distorted T-shaped geometry to one O(12), one O(3), and one F(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(9), two equivalent O(5), one F(4), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Li(5)O2F3 trigonal bipyramids,  an edgeedge with one Li(16)O2F3 trigonal bipyramid, edges with two equivalent Li(13)O2F3 trigonal bipyramids, edges with two equivalent Li(8)O2F3 trigonal bipyramids,  an edgeedge with one Li(1)O4F trigonal pyramid, and edges with two equivalent Li(4)O4F trigonal pyramids. The corner-sharing octahedral tilt angles are 26°. In the second V site, V(2) is bonded to one O(1), one O(10), two equivalent O(6), one F(1), and one F(6) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent Li(6)O2F3 trigonal bipyramids,  an edgeedge with one Li(13)O2F3 trigonal bipyramid, edges with two equivalent Li(14)O2F3 trigonal bipyramids, edges with two equivalent Li(5)O2F3 trigonal bipyramids,  an edgeedge with one Li(2)O3F trigonal pyramid, and edges with two equivalent Li(1)O4F trigonal pyramids. The corner-sharing octahedral tilt angles are 26°. In the third V site, V(3) is bonded to one O(11), one O(2), two equivalent O(7), one F(2), and one F(7) atom to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with two equivalent Li(7)O2F3 trigonal bipyramids, corners with two equivalent Li(2)O3F trigonal pyramids,  an edgeedge with one Li(14)O2F3 trigonal bipyramid, edges with two equivalent Li(15)O2F3 trigonal bipyramids, edges with two equivalent Li(6)O2F3 trigonal bipyramids, and  an edgeedge with one Li(3)O3F trigonal pyramid. The corner-sharing octahedral tilt angles are 26°. In the fourth V site, V(4) is bonded to one O(12), one O(3), two equivalent O(8), one F(3), and one F(8) atom to form VO4F2 octahedra that share corners with two equivalent V(4)O4F2 octahedra, corners with two equivalent Li(8)O2F3 trigonal bipyramids, corners with two equivalent Li(3)O3F trigonal pyramids,  an edgeedge with one Li(15)O2F3 trigonal bipyramid, edges with two equivalent Li(16)O2F3 trigonal bipyramids, edges with two equivalent Li(7)O2F3 trigonal bipyramids, and  an edgeedge with one Li(4)O4F trigonal pyramid. The corner-sharing octahedral tilt angles are 26°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(13), one Li(18), one Li(9), two equivalent Li(1), and one V(2) atom to form OLi5V octahedra that share corners with two equivalent O(1)Li5V octahedra, corners with two equivalent F(6)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  an edgeedge with one O(10)Li5V octahedra, edges with two equivalent O(9)Li5V octahedra, edges with two equivalent F(5)Li5V octahedra, and  an edgeedge with one F(1)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-25°. In the second O site, O(2) is bonded to one Li(10), one Li(14), one Li(19), two equivalent Li(2), and one V(3) atom to form OLi5V octahedra that share corners with two equivalent O(2)Li5V octahedra, corners with two equivalent F(7)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid,  an edgeedge with one O(11)Li5V octahedra, edges with two equivalent O(10)Li5V octahedra, edges with two equivalent F(6)Li5V octahedra, and  an edgeedge with one F(2)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-25°. In the third O site, O(3) is bonded to one Li(11), one Li(15), one Li(20), two equivalent Li(3), and one V(4) atom to form OLi5V octahedra that share corners with two equivalent O(3)Li5V octahedra, corners with two equivalent F(8)Li5V octahedra,  a cornercorner with one F(3)Li4V trigonal bipyramid,  an edgeedge with one O(12)Li5V octahedra, edges with two equivalent O(11)Li5V octahedra, edges with two equivalent F(7)Li5V octahedra, and  an edgeedge with one F(3)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-25°. In the fourth O site, O(4) is bonded to one Li(12), one Li(16), one Li(17), two equivalent Li(4), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(4)Li5V octahedra, corners with two equivalent F(5)Li5V octahedra,  a cornercorner with one F(4)Li4V trigonal bipyramid,  an edgeedge with one O(9)Li5V octahedra, edges with two equivalent O(12)Li5V octahedra, edges with two equivalent F(8)Li5V octahedra, and  an edgeedge with one F(4)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-25°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(13), one Li(4), one Li(8), one Li(9), and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(5), and two equivalent V(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(11), one Li(15), one Li(6), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(12), one Li(16), one Li(7), and two equivalent V(4) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Li(17), one Li(5), two equivalent Li(9), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(9)Li5V octahedra,  a cornercorner with one F(4)Li4V trigonal bipyramid,  an edgeedge with one O(4)Li5V octahedra, edges with two equivalent O(1)Li5V octahedra, edges with two equivalent F(5)Li5V octahedra, and edges with two equivalent F(1)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. In the tenth O site, O(10) is bonded to one Li(18), one Li(2), one Li(6), two equivalent Li(10), and one V(2) atom to form OLi5V octahedra that share corners with two equivalent O(10)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  an edgeedge with one O(1)Li5V octahedra, edges with two equivalent O(2)Li5V octahedra, edges with two equivalent F(6)Li5V octahedra, and edges with two equivalent F(2)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. In the eleventh O site, O(11) is bonded to one Li(19), one Li(3), one Li(7), two equivalent Li(11), and one V(3) atom to form OLi5V octahedra that share corners with two equivalent O(11)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid,  an edgeedge with one O(2)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, edges with two equivalent F(7)Li5V octahedra, and edges with two equivalent F(3)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. In the twelfth O site, O(12) is bonded to one Li(20), one Li(4), one Li(8), two equivalent Li(12), and one V(4) atom to form OLi5V octahedra that share corners with two equivalent O(12)Li5V octahedra,  a cornercorner with one F(3)Li4V trigonal bipyramid,  an edgeedge with one O(3)Li5V octahedra, edges with two equivalent O(4)Li5V octahedra, edges with two equivalent F(8)Li5V octahedra, and edges with two equivalent F(4)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one Li(13), one Li(9), two equivalent Li(5), and one V(2) atom to form FLi4V trigonal bipyramids that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(10)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra, corners with two equivalent F(1)Li4V trigonal bipyramids,  an edgeedge with one O(1)Li5V octahedra, edges with two equivalent O(9)Li5V octahedra, and edges with two equivalent F(5)Li5V octahedra. The corner-sharing octahedral tilt angles range from 1-89°. In the second F site, F(2) is bonded to one Li(10), one Li(14), two equivalent Li(6), and one V(3) atom to form FLi4V trigonal bipyramids that share  a cornercorner with one O(11)Li5V octahedra,  a cornercorner with one O(2)Li5V octahedra,  a cornercorner with one F(7)Li5V octahedra, corners with two equivalent F(2)Li4V trigonal bipyramids,  an edgeedge with one O(2)Li5V octahedra, edges with two equivalent O(10)Li5V octahedra, and edges with two equivalent F(6)Li5V octahedra. The corner-sharing octahedral tilt angles range from 1-89°. In the third F site, F(3) is bonded to one Li(11), one Li(15), two equivalent Li(7), and one V(4) atom to form FLi4V trigonal bipyramids that share  a cornercorner with one O(12)Li5V octahedra,  a cornercorner with one O(3)Li5V octahedra,  a cornercorner with one F(8)Li5V octahedra, corners with two equivalent F(3)Li4V trigonal bipyramids,  an edgeedge with one O(3)Li5V octahedra, edges with two equivalent O(11)Li5V octahedra, and edges with two equivalent F(7)Li5V octahedra. The corner-sharing octahedral tilt angles range from 1-88°. In the fourth F site, F(4) is bonded to one Li(12), one Li(16), two equivalent Li(8), and one V(1) atom to form FLi4V trigonal bipyramids that share  a cornercorner with one O(4)Li5V octahedra,  a cornercorner with one O(9)Li5V octahedra,  a cornercorner with one F(5)Li5V octahedra, corners with two equivalent F(4)Li4V trigonal bipyramids,  an edgeedge with one O(4)Li5V octahedra, edges with two equivalent O(12)Li5V octahedra, and edges with two equivalent F(8)Li5V octahedra. The corner-sharing octahedral tilt angles range from 1-89°. In the fifth F site, F(5) is bonded to one Li(1), one Li(17), one Li(5), two equivalent Li(13), and one V(1) atom to form distorted FLi5V octahedra that share corners with two equivalent O(4)Li5V octahedra, corners with two equivalent F(5)Li5V octahedra,  a cornercorner with one F(4)Li4V trigonal bipyramid, edges with two equivalent O(1)Li5V octahedra, edges with two equivalent O(9)Li5V octahedra, and edges with two equivalent F(1)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-26°. In the sixth F site, F(6) is bonded to one Li(18), one Li(2), one Li(6), two equivalent Li(14), and one V(2) atom to form distorted FLi5V octahedra that share corners with two equivalent O(1)Li5V octahedra, corners with two equivalent F(6)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid, edges with two equivalent O(10)Li5V octahedra, edges with two equivalent O(2)Li5V octahedra, and edges with two equivalent F(2)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-26°. In the seventh F site, F(7) is bonded to one Li(19), one Li(3), one Li(7), two equivalent Li(15), and one V(3) atom to form distorted FLi5V octahedra that share corners with two equivalent O(2)Li5V octahedra, corners with two equivalent F(7)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid, edges with two equivalent O(11)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, and edges with two equivalent F(3)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-25°. In the eighth F site, F(8) is bonded to one Li(20), one Li(4), one Li(8), two equivalent Li(16), and one V(4) atom to form distorted FLi5V octahedra that share corners with two equivalent O(3)Li5V octahedra, corners with two equivalent F(8)Li5V octahedra,  a cornercorner with one F(3)Li4V trigonal bipyramid, edges with two equivalent O(12)Li5V octahedra, edges with two equivalent O(4)Li5V octahedra, and edges with two equivalent F(4)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-26°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5VO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.921
_cell_length_b   5.382
_cell_length_c   6.066
_cell_angle_alpha   111.475
_cell_angle_beta   90.019
_cell_angle_gamma   111.357
_symmetry_Int_Tables_number   1
_cell_volume   109.609
_cell_formula_units_Z   1
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
  F  F0  1  0.195  0.386  0.327  1.0
  F  F1  1  0.850  0.696  0.202  1.0
  Li  Li2  1  0.683  0.364  0.847  1.0
  Li  Li3  1  0.693  0.382  0.345  1.0
  Li  Li4  1  0.285  0.567  0.685  1.0
  Li  Li5  1  0.317  0.631  0.126  1.0
  Li  Li6  1  0.965  0.930  0.540  1.0
  O  O7  1  0.137  0.270  0.822  1.0
  O  O8  1  0.501  0.998  0.067  1.0
  O  O9  1  0.830  0.657  0.690  1.0
  V  V10  1  0.001  0.998  0.992  1.0
[/CIF]
.