The material structure described by Li4V3Fe5O16 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the third Fe site, Fe(3) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded to one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OLiFe3 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one Fe(1), and one Fe(3) atom. In the fourth O site, O(4) is bonded to one Li(3), one V(1), one Fe(1), and one Fe(3) atom to form distorted OLiVFe2 tetrahedra that share corners with two equivalent O(2)LiFe3 tetrahedra, corners with two equivalent O(7)LiVFe2 trigonal pyramids, and corners with two equivalent O(8)LiVFe2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one V(2), one V(3), and one Fe(4) atom to form distorted OLiV2Fe tetrahedra that share corners with two equivalent O(11)LiVFe2 tetrahedra, corners with two equivalent O(12)LiVFe2 tetrahedra, and corners with two equivalent O(15)LiV2Fe trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(3), one Fe(2), and one Fe(4) atom. In the seventh O site, O(7) is bonded to one Li(4), one V(1), one Fe(1), and one Fe(2) atom to form distorted OLiVFe2 trigonal pyramids that share  a cornercorner with one O(2)LiFe3 tetrahedra, corners with two equivalent O(4)LiVFe2 tetrahedra,  a cornercorner with one O(8)LiVFe2 trigonal pyramid,  an edgeedge with one O(2)LiFe3 tetrahedra, and  an edgeedge with one O(8)LiVFe2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(4), one V(1), one Fe(2), and one Fe(3) atom to form distorted OLiVFe2 trigonal pyramids that share  a cornercorner with one O(2)LiFe3 tetrahedra, corners with two equivalent O(4)LiVFe2 tetrahedra,  a cornercorner with one O(7)LiVFe2 trigonal pyramid,  an edgeedge with one O(2)LiFe3 tetrahedra, and  an edgeedge with one O(7)LiVFe2 trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(3), and one Fe(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one V(2), one Fe(4), and one Fe(5) atom to form distorted OLiVFe2 tetrahedra that share  a cornercorner with one O(12)LiVFe2 tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra,  a cornercorner with one O(15)LiV2Fe trigonal pyramid,  an edgeedge with one O(12)LiVFe2 tetrahedra, and  an edgeedge with one O(15)LiV2Fe trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one V(3), one Fe(4), and one Fe(5) atom to form distorted OLiVFe2 tetrahedra that share  a cornercorner with one O(11)LiVFe2 tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra,  a cornercorner with one O(15)LiV2Fe trigonal pyramid,  an edgeedge with one O(11)LiVFe2 tetrahedra, and  an edgeedge with one O(15)LiV2Fe trigonal pyramid. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Fe(4) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Fe(1), and one Fe(5) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one V(2), one V(3), and one Fe(5) atom to form distorted OLiV2Fe trigonal pyramids that share  a cornercorner with one O(11)LiVFe2 tetrahedra,  a cornercorner with one O(12)LiVFe2 tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra,  an edgeedge with one O(11)LiVFe2 tetrahedra, and  an edgeedge with one O(12)LiVFe2 tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Fe(3), and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V3Fe5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   5.943
_cell_length_c   9.626
_cell_angle_alpha   90.899
_cell_angle_beta   89.558
_cell_angle_gamma   119.896
_symmetry_Int_Tables_number   1
_cell_volume   293.930
_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  0.675  0.336  0.894  1.0
  Li  Li1  1  0.992  0.993  0.996  1.0
  Li  Li2  1  0.999  0.003  0.496  1.0
  Li  Li3  1  0.342  0.663  0.394  1.0
  V  V4  1  0.835  0.173  0.216  1.0
  V  V5  1  0.664  0.844  0.712  1.0
  V  V6  1  0.183  0.346  0.717  1.0
  Fe  Fe7  1  0.826  0.659  0.213  1.0
  Fe  Fe8  1  0.660  0.334  0.491  1.0
  Fe  Fe9  1  0.339  0.164  0.216  1.0
  Fe  Fe10  1  0.165  0.828  0.712  1.0
  Fe  Fe11  1  0.324  0.669  0.992  1.0
  O  O12  1  0.819  0.678  0.602  1.0
  O  O13  1  0.522  0.476  0.340  1.0
  O  O14  1  0.675  0.316  0.104  1.0
  O  O15  1  0.991  0.006  0.310  1.0
  O  O16  1  0.001  0.009  0.809  1.0
  O  O17  1  0.324  0.165  0.599  1.0
  O  O18  1  0.964  0.463  0.336  1.0
  O  O19  1  0.536  0.035  0.337  1.0
  O  O20  1  0.158  0.836  0.099  1.0
  O  O21  1  0.845  0.173  0.606  1.0
  O  O22  1  0.498  0.962  0.835  1.0
  O  O23  1  0.042  0.523  0.839  1.0
  O  O24  1  0.335  0.662  0.602  1.0
  O  O25  1  0.669  0.847  0.104  1.0
  O  O26  1  0.474  0.512  0.837  1.0
  O  O27  1  0.145  0.325  0.103  1.0
[/CIF]
.
The material structure described by Li4V3Fe5O16 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the third Fe site, Fe(3) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded to one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OLiFe3 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one Fe(1), and one Fe(3) atom. In the fourth O site, O(4) is bonded to one Li(3), one V(1), one Fe(1), and one Fe(3) atom to form distorted OLiVFe2 tetrahedra that share corners with two equivalent O(2)LiFe3 tetrahedra, corners with two equivalent O(7)LiVFe2 trigonal pyramids, and corners with two equivalent O(8)LiVFe2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one V(2), one V(3), and one Fe(4) atom to form distorted OLiV2Fe tetrahedra that share corners with two equivalent O(11)LiVFe2 tetrahedra, corners with two equivalent O(12)LiVFe2 tetrahedra, and corners with two equivalent O(15)LiV2Fe trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(3), one Fe(2), and one Fe(4) atom. In the seventh O site, O(7) is bonded to one Li(4), one V(1), one Fe(1), and one Fe(2) atom to form distorted OLiVFe2 trigonal pyramids that share  a cornercorner with one O(2)LiFe3 tetrahedra, corners with two equivalent O(4)LiVFe2 tetrahedra,  a cornercorner with one O(8)LiVFe2 trigonal pyramid,  an edgeedge with one O(2)LiFe3 tetrahedra, and  an edgeedge with one O(8)LiVFe2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(4), one V(1), one Fe(2), and one Fe(3) atom to form distorted OLiVFe2 trigonal pyramids that share  a cornercorner with one O(2)LiFe3 tetrahedra, corners with two equivalent O(4)LiVFe2 tetrahedra,  a cornercorner with one O(7)LiVFe2 trigonal pyramid,  an edgeedge with one O(2)LiFe3 tetrahedra, and  an edgeedge with one O(7)LiVFe2 trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(3), and one Fe(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one V(2), one Fe(4), and one Fe(5) atom to form distorted OLiVFe2 tetrahedra that share  a cornercorner with one O(12)LiVFe2 tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra,  a cornercorner with one O(15)LiV2Fe trigonal pyramid,  an edgeedge with one O(12)LiVFe2 tetrahedra, and  an edgeedge with one O(15)LiV2Fe trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one V(3), one Fe(4), and one Fe(5) atom to form distorted OLiVFe2 tetrahedra that share  a cornercorner with one O(11)LiVFe2 tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra,  a cornercorner with one O(15)LiV2Fe trigonal pyramid,  an edgeedge with one O(11)LiVFe2 tetrahedra, and  an edgeedge with one O(15)LiV2Fe trigonal pyramid. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Fe(4) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Fe(1), and one Fe(5) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one V(2), one V(3), and one Fe(5) atom to form distorted OLiV2Fe trigonal pyramids that share  a cornercorner with one O(11)LiVFe2 tetrahedra,  a cornercorner with one O(12)LiVFe2 tetrahedra, corners with two equivalent O(5)LiV2Fe tetrahedra,  an edgeedge with one O(11)LiVFe2 tetrahedra, and  an edgeedge with one O(12)LiVFe2 tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Fe(3), and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V3Fe5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   5.943
_cell_length_c   9.626
_cell_angle_alpha   90.899
_cell_angle_beta   89.558
_cell_angle_gamma   119.896
_symmetry_Int_Tables_number   1
_cell_volume   293.930
_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  0.675  0.336  0.894  1.0
  Li  Li1  1  0.992  0.993  0.996  1.0
  Li  Li2  1  0.999  0.003  0.496  1.0
  Li  Li3  1  0.342  0.663  0.394  1.0
  V  V4  1  0.835  0.173  0.216  1.0
  V  V5  1  0.664  0.844  0.712  1.0
  V  V6  1  0.183  0.346  0.717  1.0
  Fe  Fe7  1  0.826  0.659  0.213  1.0
  Fe  Fe8  1  0.660  0.334  0.491  1.0
  Fe  Fe9  1  0.339  0.164  0.216  1.0
  Fe  Fe10  1  0.165  0.828  0.712  1.0
  Fe  Fe11  1  0.324  0.669  0.992  1.0
  O  O12  1  0.819  0.678  0.602  1.0
  O  O13  1  0.522  0.476  0.340  1.0
  O  O14  1  0.675  0.316  0.104  1.0
  O  O15  1  0.991  0.006  0.310  1.0
  O  O16  1  0.001  0.009  0.809  1.0
  O  O17  1  0.324  0.165  0.599  1.0
  O  O18  1  0.964  0.463  0.336  1.0
  O  O19  1  0.536  0.035  0.337  1.0
  O  O20  1  0.158  0.836  0.099  1.0
  O  O21  1  0.845  0.173  0.606  1.0
  O  O22  1  0.498  0.962  0.835  1.0
  O  O23  1  0.042  0.523  0.839  1.0
  O  O24  1  0.335  0.662  0.602  1.0
  O  O25  1  0.669  0.847  0.104  1.0
  O  O26  1  0.474  0.512  0.837  1.0
  O  O27  1  0.145  0.325  0.103  1.0
[/CIF]
.