The structure described by Li4V2Cr3Fe3O16 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 Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-67°. 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 Cr(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. 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(1), one Cr(2), and one Fe(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OLiVCr2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Cr(1), and one Fe(1) atom to form distorted OLiCr2Fe trigonal pyramids that share corners with two equivalent O(9)LiVCrFe tetrahedra, corners with three equivalent O(4)LiCr2Fe tetrahedra, and  an edgeedge with one O(2)LiVCr2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Fe(1) atom to form OLiCr2Fe tetrahedra that share corners with two equivalent O(2)LiVCr2 tetrahedra and corners with three equivalent O(3)LiCr2Fe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Fe(2) atoms to form corner-sharing OLiCrFe2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(1), one Cr(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Cr(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one V(2), one Cr(2), and one Fe(2) atom to form distorted OLiVCrFe tetrahedra that share  a cornercorner with one O(9)LiVCrFe tetrahedra, corners with two equivalent O(5)LiCrFe2 tetrahedra,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid, and  an edgeedge with one O(9)LiVCrFe tetrahedra. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Cr(2), and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one Cr(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Li4V2Cr3Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.945
_cell_length_b   5.945
_cell_length_c   9.450
_cell_angle_alpha   89.353
_cell_angle_beta   89.353
_cell_angle_gamma   59.969
_symmetry_Int_Tables_number   1
_cell_volume   289.138
_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  0.668  0.668  0.100  1.0
  Li  Li1  1  0.999  0.999  0.009  1.0
  Li  Li2  1  1.000  1.000  0.507  1.0
  Li  Li3  1  0.334  0.334  0.603  1.0
  V  V4  1  0.666  0.666  0.506  1.0
  V  V5  1  0.331  0.331  0.004  1.0
  Cr  Cr6  1  0.344  0.828  0.786  1.0
  Cr  Cr7  1  0.828  0.344  0.786  1.0
  Cr  Cr8  1  0.173  0.173  0.287  1.0
  Fe  Fe9  1  0.827  0.827  0.780  1.0
  Fe  Fe10  1  0.177  0.654  0.281  1.0
  Fe  Fe11  1  0.654  0.177  0.281  1.0
  O  O12  1  0.350  0.827  0.410  1.0
  O  O13  1  0.523  0.523  0.658  1.0
  O  O14  1  0.669  0.669  0.894  1.0
  O  O15  1  0.999  0.999  0.696  1.0
  O  O16  1  1.000  1.000  0.199  1.0
  O  O17  1  0.827  0.350  0.410  1.0
  O  O18  1  0.517  0.957  0.653  1.0
  O  O19  1  0.957  0.517  0.653  1.0
  O  O20  1  0.173  0.173  0.907  1.0
  O  O21  1  0.824  0.824  0.414  1.0
  O  O22  1  0.045  0.474  0.153  1.0
  O  O23  1  0.474  0.045  0.153  1.0
  O  O24  1  0.335  0.335  0.396  1.0
  O  O25  1  0.177  0.649  0.911  1.0
  O  O26  1  0.480  0.480  0.149  1.0
  O  O27  1  0.649  0.177  0.911  1.0
[/CIF]
.
The structure described by Li4V2Cr3Fe3O16 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 Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-67°. 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 Cr(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. 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(1), one Cr(2), and one Fe(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OLiVCr2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Cr(1), and one Fe(1) atom to form distorted OLiCr2Fe trigonal pyramids that share corners with two equivalent O(9)LiVCrFe tetrahedra, corners with three equivalent O(4)LiCr2Fe tetrahedra, and  an edgeedge with one O(2)LiVCr2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Fe(1) atom to form OLiCr2Fe tetrahedra that share corners with two equivalent O(2)LiVCr2 tetrahedra and corners with three equivalent O(3)LiCr2Fe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Fe(2) atoms to form corner-sharing OLiCrFe2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(1), one Cr(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Cr(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one V(2), one Cr(2), and one Fe(2) atom to form distorted OLiVCrFe tetrahedra that share  a cornercorner with one O(9)LiVCrFe tetrahedra, corners with two equivalent O(5)LiCrFe2 tetrahedra,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid, and  an edgeedge with one O(9)LiVCrFe tetrahedra. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Cr(2), and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one Cr(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Li4V2Cr3Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.945
_cell_length_b   5.945
_cell_length_c   9.450
_cell_angle_alpha   89.353
_cell_angle_beta   89.353
_cell_angle_gamma   59.969
_symmetry_Int_Tables_number   1
_cell_volume   289.138
_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  0.668  0.668  0.100  1.0
  Li  Li1  1  0.999  0.999  0.009  1.0
  Li  Li2  1  1.000  1.000  0.507  1.0
  Li  Li3  1  0.334  0.334  0.603  1.0
  V  V4  1  0.666  0.666  0.506  1.0
  V  V5  1  0.331  0.331  0.004  1.0
  Cr  Cr6  1  0.344  0.828  0.786  1.0
  Cr  Cr7  1  0.828  0.344  0.786  1.0
  Cr  Cr8  1  0.173  0.173  0.287  1.0
  Fe  Fe9  1  0.827  0.827  0.780  1.0
  Fe  Fe10  1  0.177  0.654  0.281  1.0
  Fe  Fe11  1  0.654  0.177  0.281  1.0
  O  O12  1  0.350  0.827  0.410  1.0
  O  O13  1  0.523  0.523  0.658  1.0
  O  O14  1  0.669  0.669  0.894  1.0
  O  O15  1  0.999  0.999  0.696  1.0
  O  O16  1  1.000  1.000  0.199  1.0
  O  O17  1  0.827  0.350  0.410  1.0
  O  O18  1  0.517  0.957  0.653  1.0
  O  O19  1  0.957  0.517  0.653  1.0
  O  O20  1  0.173  0.173  0.907  1.0
  O  O21  1  0.824  0.824  0.414  1.0
  O  O22  1  0.045  0.474  0.153  1.0
  O  O23  1  0.474  0.045  0.153  1.0
  O  O24  1  0.335  0.335  0.396  1.0
  O  O25  1  0.177  0.649  0.911  1.0
  O  O26  1  0.480  0.480  0.149  1.0
  O  O27  1  0.649  0.177  0.911  1.0
[/CIF]
.