The compound described by Li2V2FeO6 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(8), one O(9), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second Li site, Li(2) is bonded to one O(1), one O(6), one O(7), one O(9), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the third Li site, Li(3) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(9) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), one V(2), and one Fe(2) atom to form OLi2V2Fe square pyramids that share  a cornercorner with one O(2)Li2V2Fe square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(3)Li2V2Fe square pyramids, corners with two equivalent O(8)Li2V3 square pyramids, corners with three equivalent O(6)Li2V3 square pyramids,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(3)Li2V2Fe square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid,  an edgeedge with one O(4)Li2VFe2 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid, and edges with two equivalent O(7)Li2VFe2 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), one V(3), and one Fe(1) atom to form OLi2V2Fe square pyramids that share  a cornercorner with one O(1)Li2V2Fe square pyramid,  a cornercorner with one O(2)Li2V2Fe square pyramid,  a cornercorner with one O(3)Li2V2Fe square pyramid,  a cornercorner with one O(4)Li2VFe2 square pyramid,  a cornercorner with one O(5)Li2VFe2 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid, and edges with two equivalent O(4)Li2VFe2 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(2), one V(2), one V(3), and one Fe(2) atom to form OLi2V2Fe square pyramids that share  a cornercorner with one O(2)Li2V2Fe square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid,  a cornercorner with one O(5)Li2VFe2 square pyramid,  a cornercorner with one O(7)Li2VFe2 square pyramid, corners with two equivalent O(1)Li2V2Fe square pyramids, corners with two equivalent O(6)Li2V3 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(3)Li2V2Fe square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(4)Li2VFe2 square pyramid, edges with two equivalent O(9)Li2V3 square pyramids, and edges with two equivalent O(7)Li2VFe2 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one V(3), one Fe(1), and one Fe(2) atom to form OLi2VFe2 square pyramids that share  a cornercorner with one O(2)Li2V2Fe square pyramid,  a cornercorner with one O(4)Li2VFe2 square pyramid,  a cornercorner with one O(5)Li2VFe2 square pyramid, corners with three equivalent O(9)Li2V3 square pyramids, corners with three equivalent O(7)Li2VFe2 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(3)Li2V2Fe square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, edges with two equivalent O(2)Li2V2Fe square pyramids, and edges with two equivalent O(5)Li2VFe2 square pyramids. In the fifth O site, O(5) is bonded to two equivalent Li(3), one V(1), one Fe(1), and one Fe(2) atom to form OLi2VFe2 square pyramids that share  a cornercorner with one O(2)Li2V2Fe square pyramid,  a cornercorner with one O(3)Li2V2Fe square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(4)Li2VFe2 square pyramid,  a cornercorner with one O(5)Li2VFe2 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids, corners with two equivalent O(7)Li2VFe2 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(7)Li2VFe2 square pyramid, and edges with two equivalent O(4)Li2VFe2 square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one V(1), one V(2), and one V(3) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(5)Li2VFe2 square pyramid,  a cornercorner with one O(7)Li2VFe2 square pyramid, corners with two equivalent O(3)Li2V2Fe square pyramids, corners with two equivalent O(8)Li2V3 square pyramids, corners with three equivalent O(1)Li2V2Fe square pyramids,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(3)Li2V2Fe square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(4)Li2VFe2 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(7)Li2VFe2 square pyramid, and edges with two equivalent O(9)Li2V3 square pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one V(2), and two equivalent Fe(2) atoms to form OLi2VFe2 square pyramids that share  a cornercorner with one O(3)Li2V2Fe square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid, corners with two equivalent O(9)Li2V3 square pyramids, corners with two equivalent O(5)Li2VFe2 square pyramids, corners with three equivalent O(4)Li2VFe2 square pyramids,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(7)Li2VFe2 square pyramid, edges with two equivalent O(1)Li2V2Fe square pyramids, and edges with two equivalent O(3)Li2V2Fe square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one V(2), and two equivalent V(1) atoms to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li2V2Fe square pyramid, corners with two equivalent O(1)Li2V2Fe square pyramids, corners with two equivalent O(2)Li2V2Fe square pyramids, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(5)Li2VFe2 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid,  an edgeedge with one O(4)Li2VFe2 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid, and  an edgeedge with one O(7)Li2VFe2 square pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one V(2), and two equivalent V(3) atoms to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li2V2Fe square pyramid,  a cornercorner with one O(3)Li2V2Fe square pyramid, corners with two equivalent O(2)Li2V2Fe square pyramids, corners with two equivalent O(7)Li2VFe2 square pyramids, corners with three equivalent O(4)Li2VFe2 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, edges with two equivalent O(3)Li2V2Fe square pyramids, and edges with two equivalent O(6)Li2V3 square pyramids. is represented by the CIF file [CIF]
data_Li2V2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.549
_cell_length_b   6.676
_cell_length_c   8.430
_cell_angle_alpha   71.883
_cell_angle_beta   69.531
_cell_angle_gamma   81.390
_symmetry_Int_Tables_number   1
_cell_volume   327.849
_cell_formula_units_Z   3
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  0.670  0.007  0.831  1.0
  Li  Li1  1  0.674  0.329  0.500  1.0
  Li  Li2  1  0.004  0.658  0.839  1.0
  Li  Li3  1  0.996  0.342  0.161  1.0
  Li  Li4  1  0.330  0.993  0.169  1.0
  Li  Li5  1  0.326  0.671  0.500  1.0
  V  V6  1  0.340  0.662  0.003  1.0
  V  V7  1  0.315  0.338  0.342  1.0
  V  V8  1  0.321  0.008  0.674  1.0
  V  V9  1  0.685  0.662  0.658  1.0
  V  V10  1  0.660  0.338  0.997  1.0
  V  V11  1  0.679  0.992  0.326  1.0
  Fe  Fe12  1  0.000  0.000  0.000  1.0
  Fe  Fe13  1  0.993  0.673  0.333  1.0
  Fe  Fe14  1  0.007  0.327  0.667  1.0
  O  O15  1  0.681  0.349  0.750  1.0
  O  O16  1  0.679  0.017  0.085  1.0
  O  O17  1  0.663  0.681  0.428  1.0
  O  O18  1  0.019  0.002  0.760  1.0
  O  O19  1  0.027  0.689  0.073  1.0
  O  O20  1  0.356  0.692  0.749  1.0
  O  O21  1  0.973  0.311  0.927  1.0
  O  O22  1  0.981  0.998  0.240  1.0
  O  O23  1  0.321  0.983  0.915  1.0
  O  O24  1  0.017  0.347  0.410  1.0
  O  O25  1  0.341  0.340  0.097  1.0
  O  O26  1  0.357  0.016  0.419  1.0
  O  O27  1  0.983  0.653  0.590  1.0
  O  O28  1  0.319  0.651  0.250  1.0
  O  O29  1  0.337  0.319  0.572  1.0
  O  O30  1  0.659  0.660  0.903  1.0
  O  O31  1  0.644  0.308  0.251  1.0
  O  O32  1  0.643  0.984  0.581  1.0
[/CIF]
.
The compound described by Li2V2FeO6 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(8), one O(9), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second Li site, Li(2) is bonded to one O(1), one O(6), one O(7), one O(9), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the third Li site, Li(3) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(9) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), one V(2), and one Fe(2) atom to form OLi2V2Fe square pyramids that share  a cornercorner with one O(2)Li2V2Fe square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(3)Li2V2Fe square pyramids, corners with two equivalent O(8)Li2V3 square pyramids, corners with three equivalent O(6)Li2V3 square pyramids,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(3)Li2V2Fe square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid,  an edgeedge with one O(4)Li2VFe2 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid, and edges with two equivalent O(7)Li2VFe2 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), one V(3), and one Fe(1) atom to form OLi2V2Fe square pyramids that share  a cornercorner with one O(1)Li2V2Fe square pyramid,  a cornercorner with one O(2)Li2V2Fe square pyramid,  a cornercorner with one O(3)Li2V2Fe square pyramid,  a cornercorner with one O(4)Li2VFe2 square pyramid,  a cornercorner with one O(5)Li2VFe2 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid, and edges with two equivalent O(4)Li2VFe2 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(2), one V(2), one V(3), and one Fe(2) atom to form OLi2V2Fe square pyramids that share  a cornercorner with one O(2)Li2V2Fe square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid,  a cornercorner with one O(5)Li2VFe2 square pyramid,  a cornercorner with one O(7)Li2VFe2 square pyramid, corners with two equivalent O(1)Li2V2Fe square pyramids, corners with two equivalent O(6)Li2V3 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(3)Li2V2Fe square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(4)Li2VFe2 square pyramid, edges with two equivalent O(9)Li2V3 square pyramids, and edges with two equivalent O(7)Li2VFe2 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one V(3), one Fe(1), and one Fe(2) atom to form OLi2VFe2 square pyramids that share  a cornercorner with one O(2)Li2V2Fe square pyramid,  a cornercorner with one O(4)Li2VFe2 square pyramid,  a cornercorner with one O(5)Li2VFe2 square pyramid, corners with three equivalent O(9)Li2V3 square pyramids, corners with three equivalent O(7)Li2VFe2 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(3)Li2V2Fe square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, edges with two equivalent O(2)Li2V2Fe square pyramids, and edges with two equivalent O(5)Li2VFe2 square pyramids. In the fifth O site, O(5) is bonded to two equivalent Li(3), one V(1), one Fe(1), and one Fe(2) atom to form OLi2VFe2 square pyramids that share  a cornercorner with one O(2)Li2V2Fe square pyramid,  a cornercorner with one O(3)Li2V2Fe square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(4)Li2VFe2 square pyramid,  a cornercorner with one O(5)Li2VFe2 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids, corners with two equivalent O(7)Li2VFe2 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(7)Li2VFe2 square pyramid, and edges with two equivalent O(4)Li2VFe2 square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one V(1), one V(2), and one V(3) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(5)Li2VFe2 square pyramid,  a cornercorner with one O(7)Li2VFe2 square pyramid, corners with two equivalent O(3)Li2V2Fe square pyramids, corners with two equivalent O(8)Li2V3 square pyramids, corners with three equivalent O(1)Li2V2Fe square pyramids,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(3)Li2V2Fe square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(4)Li2VFe2 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(7)Li2VFe2 square pyramid, and edges with two equivalent O(9)Li2V3 square pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one V(2), and two equivalent Fe(2) atoms to form OLi2VFe2 square pyramids that share  a cornercorner with one O(3)Li2V2Fe square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid, corners with two equivalent O(9)Li2V3 square pyramids, corners with two equivalent O(5)Li2VFe2 square pyramids, corners with three equivalent O(4)Li2VFe2 square pyramids,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(7)Li2VFe2 square pyramid, edges with two equivalent O(1)Li2V2Fe square pyramids, and edges with two equivalent O(3)Li2V2Fe square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one V(2), and two equivalent V(1) atoms to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li2V2Fe square pyramid, corners with two equivalent O(1)Li2V2Fe square pyramids, corners with two equivalent O(2)Li2V2Fe square pyramids, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(5)Li2VFe2 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid,  an edgeedge with one O(4)Li2VFe2 square pyramid,  an edgeedge with one O(5)Li2VFe2 square pyramid, and  an edgeedge with one O(7)Li2VFe2 square pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one V(2), and two equivalent V(3) atoms to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li2V2Fe square pyramid,  a cornercorner with one O(3)Li2V2Fe square pyramid, corners with two equivalent O(2)Li2V2Fe square pyramids, corners with two equivalent O(7)Li2VFe2 square pyramids, corners with three equivalent O(4)Li2VFe2 square pyramids,  an edgeedge with one O(1)Li2V2Fe square pyramid,  an edgeedge with one O(2)Li2V2Fe square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, edges with two equivalent O(3)Li2V2Fe square pyramids, and edges with two equivalent O(6)Li2V3 square pyramids. is represented by the CIF file [CIF]
data_Li2V2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.549
_cell_length_b   6.676
_cell_length_c   8.430
_cell_angle_alpha   71.883
_cell_angle_beta   69.531
_cell_angle_gamma   81.390
_symmetry_Int_Tables_number   1
_cell_volume   327.849
_cell_formula_units_Z   3
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  0.670  0.007  0.831  1.0
  Li  Li1  1  0.674  0.329  0.500  1.0
  Li  Li2  1  0.004  0.658  0.839  1.0
  Li  Li3  1  0.996  0.342  0.161  1.0
  Li  Li4  1  0.330  0.993  0.169  1.0
  Li  Li5  1  0.326  0.671  0.500  1.0
  V  V6  1  0.340  0.662  0.003  1.0
  V  V7  1  0.315  0.338  0.342  1.0
  V  V8  1  0.321  0.008  0.674  1.0
  V  V9  1  0.685  0.662  0.658  1.0
  V  V10  1  0.660  0.338  0.997  1.0
  V  V11  1  0.679  0.992  0.326  1.0
  Fe  Fe12  1  0.000  0.000  0.000  1.0
  Fe  Fe13  1  0.993  0.673  0.333  1.0
  Fe  Fe14  1  0.007  0.327  0.667  1.0
  O  O15  1  0.681  0.349  0.750  1.0
  O  O16  1  0.679  0.017  0.085  1.0
  O  O17  1  0.663  0.681  0.428  1.0
  O  O18  1  0.019  0.002  0.760  1.0
  O  O19  1  0.027  0.689  0.073  1.0
  O  O20  1  0.356  0.692  0.749  1.0
  O  O21  1  0.973  0.311  0.927  1.0
  O  O22  1  0.981  0.998  0.240  1.0
  O  O23  1  0.321  0.983  0.915  1.0
  O  O24  1  0.017  0.347  0.410  1.0
  O  O25  1  0.341  0.340  0.097  1.0
  O  O26  1  0.357  0.016  0.419  1.0
  O  O27  1  0.983  0.653  0.590  1.0
  O  O28  1  0.319  0.651  0.250  1.0
  O  O29  1  0.337  0.319  0.572  1.0
  O  O30  1  0.659  0.660  0.903  1.0
  O  O31  1  0.644  0.308  0.251  1.0
  O  O32  1  0.643  0.984  0.581  1.0
[/CIF]
.