The material described by Li4Ti3V3(FeO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Fe site, Fe(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one V(2), and one Fe(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Ti(1), and one Fe(1) atom to form distorted OLiTi2Fe tetrahedra that share corners with two equivalent O(4)LiTi2V tetrahedra, corners with two equivalent O(6)LiTiVFe tetrahedra,  a cornercorner with one O(8)LiV2Fe trigonal pyramid, and edges with two equivalent O(6)LiTiVFe tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one V(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one V(1) atom to form distorted OLiTi2V tetrahedra that share corners with two equivalent O(2)LiTi2Fe tetrahedra, corners with four equivalent O(6)LiTiVFe tetrahedra, and  a cornercorner with one O(8)LiV2Fe trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent V(2) atoms to form distorted OLiTiV2 tetrahedra that share corners with two equivalent O(12)LiV2Fe tetrahedra, corners with four equivalent O(9)LiTiVFe tetrahedra, and  an edgeedge with one O(8)LiV2Fe trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one V(1), and one Fe(1) atom to form distorted OLiTiVFe tetrahedra that share  a cornercorner with one O(2)LiTi2Fe tetrahedra,  a cornercorner with one O(6)LiTiVFe tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(8)LiV2Fe trigonal pyramid,  an edgeedge with one O(2)LiTi2Fe tetrahedra, and  an edgeedge with one O(6)LiTiVFe tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded to one Li(3), two equivalent V(2), and one Fe(1) atom to form distorted OLiV2Fe trigonal pyramids that share  a cornercorner with one O(2)LiTi2Fe tetrahedra,  a cornercorner with one O(4)LiTi2V tetrahedra, corners with two equivalent O(6)LiTiVFe tetrahedra, corners with two equivalent O(9)LiTiVFe tetrahedra, corners with two equivalent O(12)LiV2Fe tetrahedra, and  an edgeedge with one O(5)LiTiV2 tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one V(2), and one Fe(2) atom to form distorted OLiTiVFe tetrahedra that share  a cornercorner with one O(9)LiTiVFe tetrahedra,  a cornercorner with one O(12)LiV2Fe tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  a cornercorner with one O(8)LiV2Fe trigonal pyramid,  an edgeedge with one O(9)LiTiVFe tetrahedra, and  an edgeedge with one O(12)LiV2Fe tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent V(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent V(2), and one Fe(2) atom to form distorted OLiV2Fe tetrahedra that share corners with two equivalent O(5)LiTiV2 tetrahedra, corners with two equivalent O(9)LiTiVFe tetrahedra, corners with two equivalent O(8)LiV2Fe trigonal pyramids, and edges with two equivalent O(9)LiTiVFe tetrahedra. is represented by the CIF card [CIF]
data_Li4Ti3V3(FeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.905
_cell_length_b   5.905
_cell_length_c   9.712
_cell_angle_alpha   89.642
_cell_angle_beta   89.642
_cell_angle_gamma   59.770
_symmetry_Int_Tables_number   1
_cell_volume   292.604
_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  0.667  0.667  0.892  1.0
  Li  Li1  1  0.997  0.997  0.994  1.0
  Li  Li2  1  0.999  0.999  0.498  1.0
  Li  Li3  1  0.332  0.332  0.392  1.0
  Ti  Ti4  1  0.340  0.831  0.219  1.0
  Ti  Ti5  1  0.831  0.340  0.219  1.0
  Ti  Ti6  1  0.167  0.167  0.721  1.0
  V  V7  1  0.829  0.829  0.211  1.0
  V  V8  1  0.652  0.178  0.711  1.0
  V  V9  1  0.178  0.652  0.711  1.0
  Fe  Fe10  1  0.669  0.669  0.495  1.0
  Fe  Fe11  1  0.332  0.332  0.995  1.0
  O  O12  1  0.328  0.829  0.604  1.0
  O  O13  1  0.516  0.516  0.334  1.0
  O  O14  1  0.661  0.661  0.102  1.0
  O  O15  1  0.998  0.998  0.314  1.0
  O  O16  1  0.996  0.996  0.809  1.0
  O  O17  1  0.829  0.328  0.604  1.0
  O  O18  1  0.519  0.960  0.333  1.0
  O  O19  1  0.960  0.519  0.333  1.0
  O  O20  1  0.160  0.160  0.103  1.0
  O  O21  1  0.840  0.840  0.608  1.0
  O  O22  1  0.040  0.479  0.834  1.0
  O  O23  1  0.479  0.040  0.834  1.0
  O  O24  1  0.328  0.328  0.599  1.0
  O  O25  1  0.155  0.674  0.105  1.0
  O  O26  1  0.483  0.483  0.834  1.0
  O  O27  1  0.674  0.155  0.105  1.0
[/CIF]
.
The material described by Li4Ti3V3(FeO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Fe site, Fe(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one V(2), and one Fe(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Ti(1), and one Fe(1) atom to form distorted OLiTi2Fe tetrahedra that share corners with two equivalent O(4)LiTi2V tetrahedra, corners with two equivalent O(6)LiTiVFe tetrahedra,  a cornercorner with one O(8)LiV2Fe trigonal pyramid, and edges with two equivalent O(6)LiTiVFe tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one V(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one V(1) atom to form distorted OLiTi2V tetrahedra that share corners with two equivalent O(2)LiTi2Fe tetrahedra, corners with four equivalent O(6)LiTiVFe tetrahedra, and  a cornercorner with one O(8)LiV2Fe trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent V(2) atoms to form distorted OLiTiV2 tetrahedra that share corners with two equivalent O(12)LiV2Fe tetrahedra, corners with four equivalent O(9)LiTiVFe tetrahedra, and  an edgeedge with one O(8)LiV2Fe trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one V(1), and one Fe(1) atom to form distorted OLiTiVFe tetrahedra that share  a cornercorner with one O(2)LiTi2Fe tetrahedra,  a cornercorner with one O(6)LiTiVFe tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(8)LiV2Fe trigonal pyramid,  an edgeedge with one O(2)LiTi2Fe tetrahedra, and  an edgeedge with one O(6)LiTiVFe tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded to one Li(3), two equivalent V(2), and one Fe(1) atom to form distorted OLiV2Fe trigonal pyramids that share  a cornercorner with one O(2)LiTi2Fe tetrahedra,  a cornercorner with one O(4)LiTi2V tetrahedra, corners with two equivalent O(6)LiTiVFe tetrahedra, corners with two equivalent O(9)LiTiVFe tetrahedra, corners with two equivalent O(12)LiV2Fe tetrahedra, and  an edgeedge with one O(5)LiTiV2 tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one V(2), and one Fe(2) atom to form distorted OLiTiVFe tetrahedra that share  a cornercorner with one O(9)LiTiVFe tetrahedra,  a cornercorner with one O(12)LiV2Fe tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  a cornercorner with one O(8)LiV2Fe trigonal pyramid,  an edgeedge with one O(9)LiTiVFe tetrahedra, and  an edgeedge with one O(12)LiV2Fe tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent V(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent V(2), and one Fe(2) atom to form distorted OLiV2Fe tetrahedra that share corners with two equivalent O(5)LiTiV2 tetrahedra, corners with two equivalent O(9)LiTiVFe tetrahedra, corners with two equivalent O(8)LiV2Fe trigonal pyramids, and edges with two equivalent O(9)LiTiVFe tetrahedra. is represented by the CIF card [CIF]
data_Li4Ti3V3(FeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.905
_cell_length_b   5.905
_cell_length_c   9.712
_cell_angle_alpha   89.642
_cell_angle_beta   89.642
_cell_angle_gamma   59.770
_symmetry_Int_Tables_number   1
_cell_volume   292.604
_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  0.667  0.667  0.892  1.0
  Li  Li1  1  0.997  0.997  0.994  1.0
  Li  Li2  1  0.999  0.999  0.498  1.0
  Li  Li3  1  0.332  0.332  0.392  1.0
  Ti  Ti4  1  0.340  0.831  0.219  1.0
  Ti  Ti5  1  0.831  0.340  0.219  1.0
  Ti  Ti6  1  0.167  0.167  0.721  1.0
  V  V7  1  0.829  0.829  0.211  1.0
  V  V8  1  0.652  0.178  0.711  1.0
  V  V9  1  0.178  0.652  0.711  1.0
  Fe  Fe10  1  0.669  0.669  0.495  1.0
  Fe  Fe11  1  0.332  0.332  0.995  1.0
  O  O12  1  0.328  0.829  0.604  1.0
  O  O13  1  0.516  0.516  0.334  1.0
  O  O14  1  0.661  0.661  0.102  1.0
  O  O15  1  0.998  0.998  0.314  1.0
  O  O16  1  0.996  0.996  0.809  1.0
  O  O17  1  0.829  0.328  0.604  1.0
  O  O18  1  0.519  0.960  0.333  1.0
  O  O19  1  0.960  0.519  0.333  1.0
  O  O20  1  0.160  0.160  0.103  1.0
  O  O21  1  0.840  0.840  0.608  1.0
  O  O22  1  0.040  0.479  0.834  1.0
  O  O23  1  0.479  0.040  0.834  1.0
  O  O24  1  0.328  0.328  0.599  1.0
  O  O25  1  0.155  0.674  0.105  1.0
  O  O26  1  0.483  0.483  0.834  1.0
  O  O27  1  0.674  0.155  0.105  1.0
[/CIF]
.