The material structure described by Li5V5(FeO6)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 V(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 V(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(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 three equivalent V(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 V(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(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 three equivalent V(4)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(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 three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(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 three equivalent V(2)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), 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(2)O6 octahedra, corners with two equivalent V(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 three equivalent Li(3)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(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 three equivalent V(2)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(3), and one Fe(1) atom to form OLi3V2Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(2)Li2V3Fe octahedra,  an edgeedge with one O(4)Li2V3Fe octahedra,  an edgeedge with one O(6)Li2V3Fe octahedra,  an edgeedge with one O(5)Li3V2Fe octahedra, edges with four equivalent O(1)Li3V2Fe octahedra, and edges with four equivalent O(3)Li3V2Fe octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one V(1), one V(2), one V(4), and one Fe(2) atom to form OLi2V3Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(6)Li2V3Fe octahedra,  an edgeedge with one O(1)Li3V2Fe octahedra,  an edgeedge with one O(3)Li3V2Fe octahedra,  an edgeedge with one O(5)Li3V2Fe octahedra, edges with four equivalent O(2)Li2V3Fe octahedra, and edges with four equivalent O(4)Li2V3Fe octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(3), and one Fe(1) atom to form OLi3V2Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(2)Li2V3Fe octahedra,  an edgeedge with one O(4)Li2V3Fe octahedra,  an edgeedge with one O(6)Li2V3Fe octahedra,  an edgeedge with one O(1)Li3V2Fe octahedra, edges with four equivalent O(3)Li3V2Fe octahedra, and edges with four equivalent O(5)Li3V2Fe octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one V(1), one V(2), one V(4), and one Fe(2) atom to form OLi2V3Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(2)Li2V3Fe octahedra,  an edgeedge with one O(1)Li3V2Fe octahedra,  an edgeedge with one O(3)Li3V2Fe octahedra,  an edgeedge with one O(5)Li3V2Fe octahedra, edges with four equivalent O(4)Li2V3Fe octahedra, and edges with four equivalent O(6)Li2V3Fe octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(3), and one Fe(1) atom to form OLi3V2Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(2)Li2V3Fe octahedra,  an edgeedge with one O(4)Li2V3Fe octahedra,  an edgeedge with one O(6)Li2V3Fe octahedra,  an edgeedge with one O(3)Li3V2Fe octahedra, edges with four equivalent O(1)Li3V2Fe octahedra, and edges with four equivalent O(5)Li3V2Fe octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one V(1), one V(2), one V(4), and one Fe(2) atom to form OLi2V3Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(4)Li2V3Fe octahedra,  an edgeedge with one O(1)Li3V2Fe octahedra,  an edgeedge with one O(3)Li3V2Fe octahedra,  an edgeedge with one O(5)Li3V2Fe octahedra, edges with four equivalent O(2)Li2V3Fe octahedra, and edges with four equivalent O(6)Li2V3Fe octahedra. The corner-sharing octahedral tilt angles range from 1-10°. is represented by the CIF card [CIF]
data_Li5V5(FeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.215
_cell_length_c   9.911
_cell_angle_alpha   85.101
_cell_angle_beta   85.101
_cell_angle_gamma   119.639
_symmetry_Int_Tables_number   1
_cell_volume   230.911
_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
  Li  Li0  1  0.834  0.663  0.263  1.0
  Li  Li1  1  0.682  0.845  0.736  1.0
  Li  Li2  1  0.337  0.166  0.737  1.0
  Li  Li3  1  0.155  0.318  0.264  1.0
  Li  Li4  1  0.083  0.917  0.500  1.0
  V  V5  1  0.000  0.511  0.743  1.0
  V  V6  1  0.489  1.000  0.257  1.0
  V  V7  1  0.577  0.423  0.000  1.0
  V  V8  1  0.421  0.579  0.500  1.0
  V  V9  1  0.919  0.081  0.000  1.0
  Fe  Fe10  1  0.752  0.248  0.500  1.0
  Fe  Fe11  1  0.249  0.751  0.000  1.0
  O  O12  1  0.058  0.236  0.623  1.0
  O  O13  1  0.764  0.942  0.377  1.0
  O  O14  1  0.856  0.361  0.118  1.0
  O  O15  1  0.639  0.144  0.882  1.0
  O  O16  1  0.713  0.539  0.626  1.0
  O  O17  1  0.461  0.287  0.374  1.0
  O  O18  1  0.563  0.731  0.119  1.0
  O  O19  1  0.269  0.437  0.881  1.0
  O  O20  1  0.363  0.845  0.630  1.0
  O  O21  1  0.155  0.637  0.370  1.0
  O  O22  1  0.222  0.064  0.120  1.0
  O  O23  1  0.936  0.778  0.880  1.0
[/CIF]
.
The material structure described by Li5V5(FeO6)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 V(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 V(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(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 three equivalent V(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 V(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(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 three equivalent V(4)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(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 three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(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 three equivalent V(2)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), 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(2)O6 octahedra, corners with two equivalent V(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 three equivalent Li(3)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(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 three equivalent V(2)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(3), and one Fe(1) atom to form OLi3V2Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(2)Li2V3Fe octahedra,  an edgeedge with one O(4)Li2V3Fe octahedra,  an edgeedge with one O(6)Li2V3Fe octahedra,  an edgeedge with one O(5)Li3V2Fe octahedra, edges with four equivalent O(1)Li3V2Fe octahedra, and edges with four equivalent O(3)Li3V2Fe octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one V(1), one V(2), one V(4), and one Fe(2) atom to form OLi2V3Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(6)Li2V3Fe octahedra,  an edgeedge with one O(1)Li3V2Fe octahedra,  an edgeedge with one O(3)Li3V2Fe octahedra,  an edgeedge with one O(5)Li3V2Fe octahedra, edges with four equivalent O(2)Li2V3Fe octahedra, and edges with four equivalent O(4)Li2V3Fe octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(3), and one Fe(1) atom to form OLi3V2Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(2)Li2V3Fe octahedra,  an edgeedge with one O(4)Li2V3Fe octahedra,  an edgeedge with one O(6)Li2V3Fe octahedra,  an edgeedge with one O(1)Li3V2Fe octahedra, edges with four equivalent O(3)Li3V2Fe octahedra, and edges with four equivalent O(5)Li3V2Fe octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one V(1), one V(2), one V(4), and one Fe(2) atom to form OLi2V3Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(2)Li2V3Fe octahedra,  an edgeedge with one O(1)Li3V2Fe octahedra,  an edgeedge with one O(3)Li3V2Fe octahedra,  an edgeedge with one O(5)Li3V2Fe octahedra, edges with four equivalent O(4)Li2V3Fe octahedra, and edges with four equivalent O(6)Li2V3Fe octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(3), and one Fe(1) atom to form OLi3V2Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(2)Li2V3Fe octahedra,  an edgeedge with one O(4)Li2V3Fe octahedra,  an edgeedge with one O(6)Li2V3Fe octahedra,  an edgeedge with one O(3)Li3V2Fe octahedra, edges with four equivalent O(1)Li3V2Fe octahedra, and edges with four equivalent O(5)Li3V2Fe octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one V(1), one V(2), one V(4), and one Fe(2) atom to form OLi2V3Fe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li2V3Fe octahedra,  a cornercorner with one O(6)Li2V3Fe octahedra,  a cornercorner with one O(1)Li3V2Fe octahedra,  a cornercorner with one O(3)Li3V2Fe octahedra,  a cornercorner with one O(5)Li3V2Fe octahedra,  an edgeedge with one O(4)Li2V3Fe octahedra,  an edgeedge with one O(1)Li3V2Fe octahedra,  an edgeedge with one O(3)Li3V2Fe octahedra,  an edgeedge with one O(5)Li3V2Fe octahedra, edges with four equivalent O(2)Li2V3Fe octahedra, and edges with four equivalent O(6)Li2V3Fe octahedra. The corner-sharing octahedral tilt angles range from 1-10°. is represented by the CIF card [CIF]
data_Li5V5(FeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.215
_cell_length_c   9.911
_cell_angle_alpha   85.101
_cell_angle_beta   85.101
_cell_angle_gamma   119.639
_symmetry_Int_Tables_number   1
_cell_volume   230.911
_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
  Li  Li0  1  0.834  0.663  0.263  1.0
  Li  Li1  1  0.682  0.845  0.736  1.0
  Li  Li2  1  0.337  0.166  0.737  1.0
  Li  Li3  1  0.155  0.318  0.264  1.0
  Li  Li4  1  0.083  0.917  0.500  1.0
  V  V5  1  0.000  0.511  0.743  1.0
  V  V6  1  0.489  1.000  0.257  1.0
  V  V7  1  0.577  0.423  0.000  1.0
  V  V8  1  0.421  0.579  0.500  1.0
  V  V9  1  0.919  0.081  0.000  1.0
  Fe  Fe10  1  0.752  0.248  0.500  1.0
  Fe  Fe11  1  0.249  0.751  0.000  1.0
  O  O12  1  0.058  0.236  0.623  1.0
  O  O13  1  0.764  0.942  0.377  1.0
  O  O14  1  0.856  0.361  0.118  1.0
  O  O15  1  0.639  0.144  0.882  1.0
  O  O16  1  0.713  0.539  0.626  1.0
  O  O17  1  0.461  0.287  0.374  1.0
  O  O18  1  0.563  0.731  0.119  1.0
  O  O19  1  0.269  0.437  0.881  1.0
  O  O20  1  0.363  0.845  0.630  1.0
  O  O21  1  0.155  0.637  0.370  1.0
  O  O22  1  0.222  0.064  0.120  1.0
  O  O23  1  0.936  0.778  0.880  1.0
[/CIF]
.