The structure described by Li4V2Fe3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  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 two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)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, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(7), one O(8), and two equivalent O(10) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)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 6-18°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second V site, V(2) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third Fe site, Fe(3) is bonded to two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(3), one O(6), one O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one V(1), one Fe(2), and two equivalent Fe(1) atoms to form OLiVFe3 square pyramids that share  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(1)LiVFe3 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid, corners with two equivalent O(5)Li2VFe2 square pyramids, corners with two equivalent O(4)Li3V2 square pyramids, corners with two equivalent O(6)LiVFe3 square pyramids, edges with two equivalent O(8)Li2VFe3 octahedra, edges with two equivalent O(3)Li3VFe2 octahedra, edges with two equivalent O(2)Li4VFe octahedra,  an edgeedge with one O(1)LiVFe3 square pyramid, and  an edgeedge with one O(6)LiVFe3 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one V(1), and one Fe(1) atom to form OLi4VFe octahedra that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(4)Li3V2 square pyramid,  a cornercorner with one O(10)Li3VFe square pyramid,  a cornercorner with one O(6)LiVFe3 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(2)Li4VFe octahedra, edges with two equivalent O(3)Li3VFe2 octahedra, edges with two equivalent O(7)Li4V2 octahedra,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(6)LiVFe3 square pyramid, edges with two equivalent O(4)Li3V2 square pyramids, and edges with two equivalent O(1)LiVFe3 square pyramids. The corner-sharing octahedral tilt angles range from 8-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Fe(2), and one Fe(4) atom to form OLi3VFe2 octahedra that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(5)Li2VFe2 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(2)Li4VFe octahedra,  an edgeedge with one O(10)Li3VFe square pyramid,  an edgeedge with one O(9)LiVFe3 square pyramid, edges with two equivalent O(4)Li3V2 square pyramids, edges with two equivalent O(1)LiVFe3 square pyramids, and edges with two equivalent O(6)LiVFe3 square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), and two equivalent V(1) atoms to form OLi3V2 square pyramids that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(10)Li3VFe square pyramid,  a cornercorner with one O(6)LiVFe3 square pyramid, corners with two equivalent O(5)Li2VFe2 square pyramids, corners with two equivalent O(1)LiVFe3 square pyramids,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(3)Li3VFe2 octahedra, edges with two equivalent O(2)Li4VFe octahedra,  an edgeedge with one O(4)Li3V2 square pyramid, and  an edgeedge with one O(10)Li3VFe square pyramid. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one V(2), one Fe(1), and one Fe(3) atom to form OLi2VFe2 square pyramids that share  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(5)Li2VFe2 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid, corners with two equivalent O(4)Li3V2 square pyramids, corners with two equivalent O(10)Li3VFe square pyramids, corners with two equivalent O(1)LiVFe3 square pyramids,  an edgeedge with one O(2)Li4VFe octahedra, edges with two equivalent O(8)Li2VFe3 octahedra, edges with two equivalent O(7)Li4V2 octahedra,  an edgeedge with one O(10)Li3VFe square pyramid,  an edgeedge with one O(6)LiVFe3 square pyramid, and  an edgeedge with one O(9)LiVFe3 square pyramid. The corner-sharing octahedral tilt angles are 5°. In the sixth O site, O(6) is bonded to one Li(1), one V(2), one Fe(1), one Fe(2), and one Fe(4) atom to form OLiVFe3 square pyramids that share  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(4)Li3V2 square pyramid,  a cornercorner with one O(6)LiVFe3 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid, corners with two equivalent O(10)Li3VFe square pyramids, corners with two equivalent O(1)LiVFe3 square pyramids,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one O(2)Li4VFe octahedra, edges with two equivalent O(3)Li3VFe2 octahedra,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(1)LiVFe3 square pyramid, and  an edgeedge with one O(9)LiVFe3 square pyramid. The corner-sharing octahedral tilt angles range from 3-11°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent V(2) atoms to form OLi4V2 octahedra that share  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(4)Li3V2 square pyramid,  a cornercorner with one O(10)Li3VFe square pyramid,  a cornercorner with one O(1)LiVFe3 square pyramid,  a cornercorner with one O(6)LiVFe3 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(3)Li3VFe2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(2)Li4VFe octahedra,  an edgeedge with one O(4)Li3V2 square pyramid,  an edgeedge with one O(6)LiVFe3 square pyramid,  an edgeedge with one O(9)LiVFe3 square pyramid, edges with two equivalent O(5)Li2VFe2 square pyramids, and edges with two equivalent O(10)Li3VFe square pyramids. The corner-sharing octahedral tilt angles are 12°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one V(1), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2VFe3 octahedra that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(4)Li3V2 square pyramid,  a cornercorner with one O(10)Li3VFe square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid,  an edgeedge with one O(3)Li3VFe2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one O(2)Li4VFe octahedra,  an edgeedge with one O(4)Li3V2 square pyramid,  an edgeedge with one O(10)Li3VFe square pyramid,  an edgeedge with one O(6)LiVFe3 square pyramid, edges with two equivalent O(5)Li2VFe2 square pyramids, edges with two equivalent O(1)LiVFe3 square pyramids, and edges with two equivalent O(9)LiVFe3 square pyramids. The corner-sharing octahedral tilt angles range from 0-11°. In the ninth O site, O(9) is bonded to one Li(2), one V(2), one Fe(3), and two equivalent Fe(4) atoms to form OLiVFe3 square pyramids that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(5)Li2VFe2 square pyramid,  a cornercorner with one O(10)Li3VFe square pyramid,  a cornercorner with one O(1)LiVFe3 square pyramid,  a cornercorner with one O(6)LiVFe3 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid,  an edgeedge with one O(3)Li3VFe2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(8)Li2VFe3 octahedra,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(10)Li3VFe square pyramid,  an edgeedge with one O(6)LiVFe3 square pyramid, and  an edgeedge with one O(9)LiVFe3 square pyramid. The corner-sharing octahedral tilt angles range from 7-12°. In the tenth O site, O(10) is bonded to one Li(3), two equivalent Li(4), one V(2), and one Fe(4) atom to form OLi3VFe square pyramids that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(4)Li3V2 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid, corners with two equivalent O(5)Li2VFe2 square pyramids, corners with two equivalent O(6)LiVFe3 square pyramids,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(3)Li3VFe2 octahedra, edges with two equivalent O(7)Li4V2 octahedra,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(4)Li3V2 square pyramid,  an edgeedge with one O(10)Li3VFe square pyramid, and  an edgeedge with one O(9)LiVFe3 square pyramid. The corner-sharing octahedral tilt angles range from 1-8°. is represented by the CIF card [CIF]
data_Li4V2Fe3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.872
_cell_length_b   6.633
_cell_length_c   7.978
_cell_angle_alpha   114.646
_cell_angle_beta   83.713
_cell_angle_gamma   89.672
_symmetry_Int_Tables_number   1
_cell_volume   375.751
_cell_formula_units_Z   2
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  0.153  0.061  0.407  1.0
  Li  Li1  1  0.048  0.345  0.784  1.0
  Li  Li2  1  0.997  0.495  0.491  1.0
  Li  Li3  1  0.503  0.005  0.509  1.0
  Li  Li4  1  0.452  0.155  0.216  1.0
  Li  Li5  1  0.347  0.439  0.593  1.0
  Li  Li6  1  0.656  0.562  0.403  1.0
  Li  Li7  1  0.844  0.938  0.597  1.0
  V  V8  1  0.286  0.603  0.303  1.0
  V  V9  1  0.214  0.897  0.697  1.0
  V  V10  1  0.800  0.088  0.313  1.0
  V  V11  1  0.700  0.412  0.687  1.0
  Fe  Fe12  1  0.092  0.217  0.109  1.0
  Fe  Fe13  1  0.408  0.283  0.891  1.0
  Fe  Fe14  1  0.250  0.750  0.000  1.0
  Fe  Fe15  1  0.750  0.250  0.000  1.0
  Fe  Fe16  1  0.607  0.709  0.097  1.0
  Fe  Fe17  1  0.893  0.791  0.903  1.0
  O  O18  1  0.311  0.024  0.942  1.0
  O  O19  1  0.278  0.165  0.667  1.0
  O  O20  1  0.222  0.335  0.333  1.0
  O  O21  1  0.136  0.645  0.766  1.0
  O  O22  1  0.189  0.476  0.058  1.0
  O  O23  1  0.100  0.776  0.461  1.0
  O  O24  1  0.632  0.162  0.751  1.0
  O  O25  1  0.027  0.938  0.143  1.0
  O  O26  1  0.592  0.279  0.460  1.0
  O  O27  1  0.473  0.562  0.857  1.0
  O  O28  1  0.506  0.441  0.156  1.0
  O  O29  1  0.400  0.724  0.539  1.0
  O  O30  1  0.994  0.059  0.844  1.0
  O  O31  1  0.364  0.855  0.234  1.0
  O  O32  1  0.908  0.221  0.540  1.0
  O  O33  1  0.815  0.511  0.926  1.0
  O  O34  1  0.868  0.338  0.249  1.0
  O  O35  1  0.778  0.657  0.660  1.0
  O  O36  1  0.722  0.843  0.340  1.0
  O  O37  1  0.685  0.989  0.074  1.0
[/CIF]
.
The structure described by Li4V2Fe3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  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 two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)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, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(7), one O(8), and two equivalent O(10) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)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 6-18°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second V site, V(2) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third Fe site, Fe(3) is bonded to two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(3), one O(6), one O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one V(1), one Fe(2), and two equivalent Fe(1) atoms to form OLiVFe3 square pyramids that share  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(1)LiVFe3 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid, corners with two equivalent O(5)Li2VFe2 square pyramids, corners with two equivalent O(4)Li3V2 square pyramids, corners with two equivalent O(6)LiVFe3 square pyramids, edges with two equivalent O(8)Li2VFe3 octahedra, edges with two equivalent O(3)Li3VFe2 octahedra, edges with two equivalent O(2)Li4VFe octahedra,  an edgeedge with one O(1)LiVFe3 square pyramid, and  an edgeedge with one O(6)LiVFe3 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one V(1), and one Fe(1) atom to form OLi4VFe octahedra that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(4)Li3V2 square pyramid,  a cornercorner with one O(10)Li3VFe square pyramid,  a cornercorner with one O(6)LiVFe3 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(2)Li4VFe octahedra, edges with two equivalent O(3)Li3VFe2 octahedra, edges with two equivalent O(7)Li4V2 octahedra,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(6)LiVFe3 square pyramid, edges with two equivalent O(4)Li3V2 square pyramids, and edges with two equivalent O(1)LiVFe3 square pyramids. The corner-sharing octahedral tilt angles range from 8-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Fe(2), and one Fe(4) atom to form OLi3VFe2 octahedra that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(5)Li2VFe2 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(2)Li4VFe octahedra,  an edgeedge with one O(10)Li3VFe square pyramid,  an edgeedge with one O(9)LiVFe3 square pyramid, edges with two equivalent O(4)Li3V2 square pyramids, edges with two equivalent O(1)LiVFe3 square pyramids, and edges with two equivalent O(6)LiVFe3 square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), and two equivalent V(1) atoms to form OLi3V2 square pyramids that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(10)Li3VFe square pyramid,  a cornercorner with one O(6)LiVFe3 square pyramid, corners with two equivalent O(5)Li2VFe2 square pyramids, corners with two equivalent O(1)LiVFe3 square pyramids,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(3)Li3VFe2 octahedra, edges with two equivalent O(2)Li4VFe octahedra,  an edgeedge with one O(4)Li3V2 square pyramid, and  an edgeedge with one O(10)Li3VFe square pyramid. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one V(2), one Fe(1), and one Fe(3) atom to form OLi2VFe2 square pyramids that share  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(5)Li2VFe2 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid, corners with two equivalent O(4)Li3V2 square pyramids, corners with two equivalent O(10)Li3VFe square pyramids, corners with two equivalent O(1)LiVFe3 square pyramids,  an edgeedge with one O(2)Li4VFe octahedra, edges with two equivalent O(8)Li2VFe3 octahedra, edges with two equivalent O(7)Li4V2 octahedra,  an edgeedge with one O(10)Li3VFe square pyramid,  an edgeedge with one O(6)LiVFe3 square pyramid, and  an edgeedge with one O(9)LiVFe3 square pyramid. The corner-sharing octahedral tilt angles are 5°. In the sixth O site, O(6) is bonded to one Li(1), one V(2), one Fe(1), one Fe(2), and one Fe(4) atom to form OLiVFe3 square pyramids that share  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(4)Li3V2 square pyramid,  a cornercorner with one O(6)LiVFe3 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid, corners with two equivalent O(10)Li3VFe square pyramids, corners with two equivalent O(1)LiVFe3 square pyramids,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one O(2)Li4VFe octahedra, edges with two equivalent O(3)Li3VFe2 octahedra,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(1)LiVFe3 square pyramid, and  an edgeedge with one O(9)LiVFe3 square pyramid. The corner-sharing octahedral tilt angles range from 3-11°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent V(2) atoms to form OLi4V2 octahedra that share  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(4)Li3V2 square pyramid,  a cornercorner with one O(10)Li3VFe square pyramid,  a cornercorner with one O(1)LiVFe3 square pyramid,  a cornercorner with one O(6)LiVFe3 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(3)Li3VFe2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(2)Li4VFe octahedra,  an edgeedge with one O(4)Li3V2 square pyramid,  an edgeedge with one O(6)LiVFe3 square pyramid,  an edgeedge with one O(9)LiVFe3 square pyramid, edges with two equivalent O(5)Li2VFe2 square pyramids, and edges with two equivalent O(10)Li3VFe square pyramids. The corner-sharing octahedral tilt angles are 12°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one V(1), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2VFe3 octahedra that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(4)Li3V2 square pyramid,  a cornercorner with one O(10)Li3VFe square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid,  an edgeedge with one O(3)Li3VFe2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one O(2)Li4VFe octahedra,  an edgeedge with one O(4)Li3V2 square pyramid,  an edgeedge with one O(10)Li3VFe square pyramid,  an edgeedge with one O(6)LiVFe3 square pyramid, edges with two equivalent O(5)Li2VFe2 square pyramids, edges with two equivalent O(1)LiVFe3 square pyramids, and edges with two equivalent O(9)LiVFe3 square pyramids. The corner-sharing octahedral tilt angles range from 0-11°. In the ninth O site, O(9) is bonded to one Li(2), one V(2), one Fe(3), and two equivalent Fe(4) atoms to form OLiVFe3 square pyramids that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(3)Li3VFe2 octahedra,  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(5)Li2VFe2 square pyramid,  a cornercorner with one O(10)Li3VFe square pyramid,  a cornercorner with one O(1)LiVFe3 square pyramid,  a cornercorner with one O(6)LiVFe3 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid,  an edgeedge with one O(3)Li3VFe2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(8)Li2VFe3 octahedra,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(10)Li3VFe square pyramid,  an edgeedge with one O(6)LiVFe3 square pyramid, and  an edgeedge with one O(9)LiVFe3 square pyramid. The corner-sharing octahedral tilt angles range from 7-12°. In the tenth O site, O(10) is bonded to one Li(3), two equivalent Li(4), one V(2), and one Fe(4) atom to form OLi3VFe square pyramids that share  a cornercorner with one O(8)Li2VFe3 octahedra,  a cornercorner with one O(7)Li4V2 octahedra,  a cornercorner with one O(2)Li4VFe octahedra,  a cornercorner with one O(4)Li3V2 square pyramid,  a cornercorner with one O(9)LiVFe3 square pyramid, corners with two equivalent O(5)Li2VFe2 square pyramids, corners with two equivalent O(6)LiVFe3 square pyramids,  an edgeedge with one O(8)Li2VFe3 octahedra,  an edgeedge with one O(3)Li3VFe2 octahedra, edges with two equivalent O(7)Li4V2 octahedra,  an edgeedge with one O(5)Li2VFe2 square pyramid,  an edgeedge with one O(4)Li3V2 square pyramid,  an edgeedge with one O(10)Li3VFe square pyramid, and  an edgeedge with one O(9)LiVFe3 square pyramid. The corner-sharing octahedral tilt angles range from 1-8°. is represented by the CIF card [CIF]
data_Li4V2Fe3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.872
_cell_length_b   6.633
_cell_length_c   7.978
_cell_angle_alpha   114.646
_cell_angle_beta   83.713
_cell_angle_gamma   89.672
_symmetry_Int_Tables_number   1
_cell_volume   375.751
_cell_formula_units_Z   2
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  0.153  0.061  0.407  1.0
  Li  Li1  1  0.048  0.345  0.784  1.0
  Li  Li2  1  0.997  0.495  0.491  1.0
  Li  Li3  1  0.503  0.005  0.509  1.0
  Li  Li4  1  0.452  0.155  0.216  1.0
  Li  Li5  1  0.347  0.439  0.593  1.0
  Li  Li6  1  0.656  0.562  0.403  1.0
  Li  Li7  1  0.844  0.938  0.597  1.0
  V  V8  1  0.286  0.603  0.303  1.0
  V  V9  1  0.214  0.897  0.697  1.0
  V  V10  1  0.800  0.088  0.313  1.0
  V  V11  1  0.700  0.412  0.687  1.0
  Fe  Fe12  1  0.092  0.217  0.109  1.0
  Fe  Fe13  1  0.408  0.283  0.891  1.0
  Fe  Fe14  1  0.250  0.750  0.000  1.0
  Fe  Fe15  1  0.750  0.250  0.000  1.0
  Fe  Fe16  1  0.607  0.709  0.097  1.0
  Fe  Fe17  1  0.893  0.791  0.903  1.0
  O  O18  1  0.311  0.024  0.942  1.0
  O  O19  1  0.278  0.165  0.667  1.0
  O  O20  1  0.222  0.335  0.333  1.0
  O  O21  1  0.136  0.645  0.766  1.0
  O  O22  1  0.189  0.476  0.058  1.0
  O  O23  1  0.100  0.776  0.461  1.0
  O  O24  1  0.632  0.162  0.751  1.0
  O  O25  1  0.027  0.938  0.143  1.0
  O  O26  1  0.592  0.279  0.460  1.0
  O  O27  1  0.473  0.562  0.857  1.0
  O  O28  1  0.506  0.441  0.156  1.0
  O  O29  1  0.400  0.724  0.539  1.0
  O  O30  1  0.994  0.059  0.844  1.0
  O  O31  1  0.364  0.855  0.234  1.0
  O  O32  1  0.908  0.221  0.540  1.0
  O  O33  1  0.815  0.511  0.926  1.0
  O  O34  1  0.868  0.338  0.249  1.0
  O  O35  1  0.778  0.657  0.660  1.0
  O  O36  1  0.722  0.843  0.340  1.0
  O  O37  1  0.685  0.989  0.074  1.0
[/CIF]
.