The material structure described by Li4Nb3Fe3(TeO8)2 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 Nb(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. 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 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the third Li site, Li(3) is bonded in a 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 Fe(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Nb site, Nb(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 NbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(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 FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and edges with four equivalent Nb(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(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 Te site, Te(2) is bonded in a 3-coordinate geometry to one O(7) and two equivalent O(11) atoms. 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 Nb(2), one Fe(2), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Fe(1), and one Te(1) atom to form corner-sharing OLiFe2Te tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent Fe(1) atoms to form corner-sharing OLiNbFe2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(2), two equivalent Nb(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Fe(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Nb(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Nb(2), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Fe(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Nb(2) atoms. is represented by the CIF card [CIF]
data_Li4Nb3Fe3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.266
_cell_length_b   6.266
_cell_length_c   10.501
_cell_angle_alpha   89.588
_cell_angle_beta   89.588
_cell_angle_gamma   58.033
_symmetry_Int_Tables_number   1
_cell_volume   349.771
_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  0.670  0.670  0.096  1.0
  Li  Li1  1  0.002  0.002  0.003  1.0
  Li  Li2  1  0.999  0.999  0.516  1.0
  Li  Li3  1  0.340  0.340  0.597  1.0
  Nb  Nb4  1  0.819  0.819  0.765  1.0
  Nb  Nb5  1  0.164  0.649  0.279  1.0
  Nb  Nb6  1  0.649  0.164  0.279  1.0
  Fe  Fe7  1  0.343  0.830  0.786  1.0
  Fe  Fe8  1  0.830  0.343  0.786  1.0
  Fe  Fe9  1  0.166  0.166  0.294  1.0
  Te  Te10  1  0.644  0.644  0.504  1.0
  Te  Te11  1  0.330  0.330  0.983  1.0
  O  O12  1  0.318  0.826  0.409  1.0
  O  O13  1  0.523  0.523  0.646  1.0
  O  O14  1  0.686  0.686  0.897  1.0
  O  O15  1  0.989  0.989  0.699  1.0
  O  O16  1  0.999  0.999  0.189  1.0
  O  O17  1  0.826  0.318  0.409  1.0
  O  O18  1  0.521  0.988  0.665  1.0
  O  O19  1  0.988  0.521  0.665  1.0
  O  O20  1  0.168  0.168  0.902  1.0
  O  O21  1  0.861  0.861  0.395  1.0
  O  O22  1  0.018  0.505  0.183  1.0
  O  O23  1  0.505  0.018  0.183  1.0
  O  O24  1  0.342  0.342  0.403  1.0
  O  O25  1  0.165  0.660  0.896  1.0
  O  O26  1  0.496  0.496  0.174  1.0
  O  O27  1  0.660  0.165  0.896  1.0
[/CIF]
.
The material structure described by Li4Nb3Fe3(TeO8)2 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 Nb(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. 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 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the third Li site, Li(3) is bonded in a 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 Fe(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Nb site, Nb(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 NbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(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 FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and edges with four equivalent Nb(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(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 Te site, Te(2) is bonded in a 3-coordinate geometry to one O(7) and two equivalent O(11) atoms. 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 Nb(2), one Fe(2), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Fe(1), and one Te(1) atom to form corner-sharing OLiFe2Te tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent Fe(1) atoms to form corner-sharing OLiNbFe2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(2), two equivalent Nb(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Fe(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Nb(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Nb(2), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Fe(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Nb(2) atoms. is represented by the CIF card [CIF]
data_Li4Nb3Fe3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.266
_cell_length_b   6.266
_cell_length_c   10.501
_cell_angle_alpha   89.588
_cell_angle_beta   89.588
_cell_angle_gamma   58.033
_symmetry_Int_Tables_number   1
_cell_volume   349.771
_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  0.670  0.670  0.096  1.0
  Li  Li1  1  0.002  0.002  0.003  1.0
  Li  Li2  1  0.999  0.999  0.516  1.0
  Li  Li3  1  0.340  0.340  0.597  1.0
  Nb  Nb4  1  0.819  0.819  0.765  1.0
  Nb  Nb5  1  0.164  0.649  0.279  1.0
  Nb  Nb6  1  0.649  0.164  0.279  1.0
  Fe  Fe7  1  0.343  0.830  0.786  1.0
  Fe  Fe8  1  0.830  0.343  0.786  1.0
  Fe  Fe9  1  0.166  0.166  0.294  1.0
  Te  Te10  1  0.644  0.644  0.504  1.0
  Te  Te11  1  0.330  0.330  0.983  1.0
  O  O12  1  0.318  0.826  0.409  1.0
  O  O13  1  0.523  0.523  0.646  1.0
  O  O14  1  0.686  0.686  0.897  1.0
  O  O15  1  0.989  0.989  0.699  1.0
  O  O16  1  0.999  0.999  0.189  1.0
  O  O17  1  0.826  0.318  0.409  1.0
  O  O18  1  0.521  0.988  0.665  1.0
  O  O19  1  0.988  0.521  0.665  1.0
  O  O20  1  0.168  0.168  0.902  1.0
  O  O21  1  0.861  0.861  0.395  1.0
  O  O22  1  0.018  0.505  0.183  1.0
  O  O23  1  0.505  0.018  0.183  1.0
  O  O24  1  0.342  0.342  0.403  1.0
  O  O25  1  0.165  0.660  0.896  1.0
  O  O26  1  0.496  0.496  0.174  1.0
  O  O27  1  0.660  0.165  0.896  1.0
[/CIF]
.