The material described by Li4V3Fe2Sb3O16 is Hausmannite-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 Sb(1)O6 octahedra, corners with two equivalent Sb(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 53-63°. In the second Li site, Li(2) is bonded in a 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 in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. 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 Sb(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. 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, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. 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  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 V(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. 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 Sb(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent Sb sites. In the first Sb site, Sb(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 SbO6 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, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Sb site, Sb(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. 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 V(2), one Fe(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one V(1), and two equivalent Sb(1) atoms to form distorted OLiVSb2 tetrahedra that share corners with four equivalent O(6)LiVFeSb tetrahedra,  a cornercorner with one O(8)LiV2Fe trigonal pyramid, and edges with two equivalent O(11)LiVFeSb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(2), and one Sb(2) atom to form distorted OLiV2Sb tetrahedra that share corners with two equivalent O(12)LiV2Fe tetrahedra, corners with two equivalent O(11)LiVFeSb trigonal pyramids, and  an edgeedge with one O(8)LiV2Fe trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Fe(1), and one Sb(1) atom to form distorted OLiVFeSb tetrahedra that share  a cornercorner with one O(6)LiVFeSb tetrahedra, corners with two equivalent O(4)LiVSb2 tetrahedra,  a cornercorner with one O(8)LiV2Fe trigonal pyramid, corners with three equivalent O(11)LiVFeSb trigonal pyramids, and  an edgeedge with one O(6)LiVFeSb tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), and two equivalent Sb(1) atoms. 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(4)LiVSb2 tetrahedra, corners with two equivalent O(12)LiV2Fe tetrahedra, corners with two equivalent O(6)LiVFeSb tetrahedra, and  an edgeedge with one O(5)LiV2Sb tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one Fe(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent V(2), and one Sb(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one V(1), one Fe(2), and one Sb(1) atom to form distorted OLiVFeSb trigonal pyramids that share  a cornercorner with one O(12)LiV2Fe tetrahedra,  a cornercorner with one O(5)LiV2Sb tetrahedra, corners with three equivalent O(6)LiVFeSb tetrahedra,  a cornercorner with one O(11)LiVFeSb trigonal pyramid,  an edgeedge with one O(4)LiVSb2 tetrahedra, and  an edgeedge with one O(11)LiVFeSb trigonal pyramid. 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)LiV2Sb tetrahedra, corners with two equivalent O(8)LiV2Fe trigonal pyramids, and corners with two equivalent O(11)LiVFeSb trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V3Fe2Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   6.158
_cell_length_c   9.937
_cell_angle_alpha   89.746
_cell_angle_beta   89.746
_cell_angle_gamma   60.033
_symmetry_Int_Tables_number   1
_cell_volume   326.489
_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  0.664  0.664  0.874  1.0
  Li  Li1  1  0.992  0.992  0.991  1.0
  Li  Li2  1  0.995  0.995  0.506  1.0
  Li  Li3  1  0.328  0.328  0.401  1.0
  V  V4  1  0.832  0.832  0.217  1.0
  V  V5  1  0.664  0.171  0.714  1.0
  V  V6  1  0.171  0.664  0.714  1.0
  Fe  Fe7  1  0.674  0.674  0.514  1.0
  Fe  Fe8  1  0.344  0.344  0.977  1.0
  Sb  Sb9  1  0.832  0.338  0.216  1.0
  Sb  Sb10  1  0.338  0.832  0.216  1.0
  Sb  Sb11  1  0.171  0.171  0.715  1.0
  O  O12  1  0.850  0.316  0.601  1.0
  O  O13  1  0.513  0.513  0.330  1.0
  O  O14  1  0.663  0.663  0.103  1.0
  O  O15  1  0.004  0.004  0.321  1.0
  O  O16  1  0.006  0.006  0.813  1.0
  O  O17  1  0.316  0.850  0.601  1.0
  O  O18  1  0.966  0.513  0.325  1.0
  O  O19  1  0.513  0.966  0.325  1.0
  O  O20  1  0.156  0.156  0.104  1.0
  O  O21  1  0.845  0.845  0.610  1.0
  O  O22  1  0.479  0.033  0.833  1.0
  O  O23  1  0.033  0.479  0.833  1.0
  O  O24  1  0.329  0.329  0.601  1.0
  O  O25  1  0.693  0.159  0.110  1.0
  O  O26  1  0.482  0.482  0.831  1.0
  O  O27  1  0.159  0.693  0.110  1.0
[/CIF]
.
The material described by Li4V3Fe2Sb3O16 is Hausmannite-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 Sb(1)O6 octahedra, corners with two equivalent Sb(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 53-63°. In the second Li site, Li(2) is bonded in a 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 in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. 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 Sb(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. 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, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. 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  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 V(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. 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 Sb(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent Sb sites. In the first Sb site, Sb(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 SbO6 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, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Sb site, Sb(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. 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 V(2), one Fe(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one V(1), and two equivalent Sb(1) atoms to form distorted OLiVSb2 tetrahedra that share corners with four equivalent O(6)LiVFeSb tetrahedra,  a cornercorner with one O(8)LiV2Fe trigonal pyramid, and edges with two equivalent O(11)LiVFeSb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(2), and one Sb(2) atom to form distorted OLiV2Sb tetrahedra that share corners with two equivalent O(12)LiV2Fe tetrahedra, corners with two equivalent O(11)LiVFeSb trigonal pyramids, and  an edgeedge with one O(8)LiV2Fe trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Fe(1), and one Sb(1) atom to form distorted OLiVFeSb tetrahedra that share  a cornercorner with one O(6)LiVFeSb tetrahedra, corners with two equivalent O(4)LiVSb2 tetrahedra,  a cornercorner with one O(8)LiV2Fe trigonal pyramid, corners with three equivalent O(11)LiVFeSb trigonal pyramids, and  an edgeedge with one O(6)LiVFeSb tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), and two equivalent Sb(1) atoms. 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(4)LiVSb2 tetrahedra, corners with two equivalent O(12)LiV2Fe tetrahedra, corners with two equivalent O(6)LiVFeSb tetrahedra, and  an edgeedge with one O(5)LiV2Sb tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one Fe(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent V(2), and one Sb(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one V(1), one Fe(2), and one Sb(1) atom to form distorted OLiVFeSb trigonal pyramids that share  a cornercorner with one O(12)LiV2Fe tetrahedra,  a cornercorner with one O(5)LiV2Sb tetrahedra, corners with three equivalent O(6)LiVFeSb tetrahedra,  a cornercorner with one O(11)LiVFeSb trigonal pyramid,  an edgeedge with one O(4)LiVSb2 tetrahedra, and  an edgeedge with one O(11)LiVFeSb trigonal pyramid. 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)LiV2Sb tetrahedra, corners with two equivalent O(8)LiV2Fe trigonal pyramids, and corners with two equivalent O(11)LiVFeSb trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V3Fe2Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   6.158
_cell_length_c   9.937
_cell_angle_alpha   89.746
_cell_angle_beta   89.746
_cell_angle_gamma   60.033
_symmetry_Int_Tables_number   1
_cell_volume   326.489
_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  0.664  0.664  0.874  1.0
  Li  Li1  1  0.992  0.992  0.991  1.0
  Li  Li2  1  0.995  0.995  0.506  1.0
  Li  Li3  1  0.328  0.328  0.401  1.0
  V  V4  1  0.832  0.832  0.217  1.0
  V  V5  1  0.664  0.171  0.714  1.0
  V  V6  1  0.171  0.664  0.714  1.0
  Fe  Fe7  1  0.674  0.674  0.514  1.0
  Fe  Fe8  1  0.344  0.344  0.977  1.0
  Sb  Sb9  1  0.832  0.338  0.216  1.0
  Sb  Sb10  1  0.338  0.832  0.216  1.0
  Sb  Sb11  1  0.171  0.171  0.715  1.0
  O  O12  1  0.850  0.316  0.601  1.0
  O  O13  1  0.513  0.513  0.330  1.0
  O  O14  1  0.663  0.663  0.103  1.0
  O  O15  1  0.004  0.004  0.321  1.0
  O  O16  1  0.006  0.006  0.813  1.0
  O  O17  1  0.316  0.850  0.601  1.0
  O  O18  1  0.966  0.513  0.325  1.0
  O  O19  1  0.513  0.966  0.325  1.0
  O  O20  1  0.156  0.156  0.104  1.0
  O  O21  1  0.845  0.845  0.610  1.0
  O  O22  1  0.479  0.033  0.833  1.0
  O  O23  1  0.033  0.479  0.833  1.0
  O  O24  1  0.329  0.329  0.601  1.0
  O  O25  1  0.693  0.159  0.110  1.0
  O  O26  1  0.482  0.482  0.831  1.0
  O  O27  1  0.159  0.693  0.110  1.0
[/CIF]
.