The compound described by Li4NbFe(WO6)2 is Ilmenite-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 in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal planar geometry to one O(1), one O(11), one O(3), and one O(7) atom. Nb(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-41°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-41°. In the second W site, W(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Nb(1), and one W(1) atom to form a mixture of distorted corner and edge-sharing OLi2NbW tetrahedra. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Fe(1) atom. In the third O site, O(3) is bonded to one Li(2), one Li(4), one W(2), and one Fe(1) atom to form OLi2FeW tetrahedra that share  a cornercorner with one O(1)Li2NbW tetrahedra and corners with two equivalent O(11)Li2FeW tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Nb(1), and one W(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Nb(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one W(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Nb(1), and one W(1) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(2), and one Fe(1) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one W(1), and one Fe(1) atom to form OLi2FeW tetrahedra that share  a cornercorner with one O(1)Li2NbW tetrahedra, corners with two equivalent O(3)Li2FeW tetrahedra, and  an edgeedge with one O(1)Li2NbW tetrahedra. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Nb(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Li4NbFe(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   5.489
_cell_length_c   7.576
_cell_angle_alpha   94.553
_cell_angle_beta   89.919
_cell_angle_gamma   89.890
_symmetry_Int_Tables_number   1
_cell_volume   214.739
_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
  Fe  Fe0  1  1.000  0.009  0.999  1.0
  Li  Li1  1  0.001  0.590  0.729  1.0
  Li  Li2  1  0.498  0.064  0.194  1.0
  Li  Li3  1  0.995  0.587  0.192  1.0
  Li  Li4  1  0.504  0.026  0.749  1.0
  Nb  Nb5  1  0.501  0.517  0.487  1.0
  O  O6  1  0.307  0.804  0.571  1.0
  O  O7  1  0.119  0.981  0.267  1.0
  O  O8  1  0.321  0.185  0.954  1.0
  O  O9  1  0.183  0.303  0.571  1.0
  O  O10  1  0.793  0.303  0.071  1.0
  O  O11  1  0.372  0.488  0.253  1.0
  O  O12  1  0.624  0.484  0.753  1.0
  O  O13  1  0.197  0.676  0.952  1.0
  O  O14  1  0.819  0.680  0.445  1.0
  O  O15  1  0.693  0.786  0.066  1.0
  O  O16  1  0.884  0.972  0.742  1.0
  O  O17  1  0.684  0.173  0.445  1.0
  W  W18  1  0.997  0.018  0.502  1.0
  W  W19  1  0.506  0.497  0.990  1.0
[/CIF]
.
The compound described by Li4NbFe(WO6)2 is Ilmenite-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 in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal planar geometry to one O(1), one O(11), one O(3), and one O(7) atom. Nb(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-41°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-41°. In the second W site, W(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Nb(1), and one W(1) atom to form a mixture of distorted corner and edge-sharing OLi2NbW tetrahedra. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Fe(1) atom. In the third O site, O(3) is bonded to one Li(2), one Li(4), one W(2), and one Fe(1) atom to form OLi2FeW tetrahedra that share  a cornercorner with one O(1)Li2NbW tetrahedra and corners with two equivalent O(11)Li2FeW tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Nb(1), and one W(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Nb(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one W(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Nb(1), and one W(1) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(2), and one Fe(1) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one W(1), and one Fe(1) atom to form OLi2FeW tetrahedra that share  a cornercorner with one O(1)Li2NbW tetrahedra, corners with two equivalent O(3)Li2FeW tetrahedra, and  an edgeedge with one O(1)Li2NbW tetrahedra. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Nb(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Li4NbFe(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   5.489
_cell_length_c   7.576
_cell_angle_alpha   94.553
_cell_angle_beta   89.919
_cell_angle_gamma   89.890
_symmetry_Int_Tables_number   1
_cell_volume   214.739
_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
  Fe  Fe0  1  1.000  0.009  0.999  1.0
  Li  Li1  1  0.001  0.590  0.729  1.0
  Li  Li2  1  0.498  0.064  0.194  1.0
  Li  Li3  1  0.995  0.587  0.192  1.0
  Li  Li4  1  0.504  0.026  0.749  1.0
  Nb  Nb5  1  0.501  0.517  0.487  1.0
  O  O6  1  0.307  0.804  0.571  1.0
  O  O7  1  0.119  0.981  0.267  1.0
  O  O8  1  0.321  0.185  0.954  1.0
  O  O9  1  0.183  0.303  0.571  1.0
  O  O10  1  0.793  0.303  0.071  1.0
  O  O11  1  0.372  0.488  0.253  1.0
  O  O12  1  0.624  0.484  0.753  1.0
  O  O13  1  0.197  0.676  0.952  1.0
  O  O14  1  0.819  0.680  0.445  1.0
  O  O15  1  0.693  0.786  0.066  1.0
  O  O16  1  0.884  0.972  0.742  1.0
  O  O17  1  0.684  0.173  0.445  1.0
  W  W18  1  0.997  0.018  0.502  1.0
  W  W19  1  0.506  0.497  0.990  1.0
[/CIF]
.