The compound described by Li4Nb2Fe3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Nb(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-76°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-90°. Nb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form NbO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 9°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent Nb(1)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-13°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 13°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Nb(1), and one Fe(2) atom to form OLi3NbFe trigonal bipyramids that share corners with two equivalent O(5)Li2NbFe3 octahedra, corners with two equivalent O(4)LiNbFe3 square pyramids, corners with three equivalent O(2)Li2NbFe2 square pyramids, edges with two equivalent O(5)Li2NbFe3 octahedra,  an edgeedge with one O(2)Li2NbFe2 square pyramid,  an edgeedge with one O(4)LiNbFe3 square pyramid, and  an edgeedge with one O(1)Li3NbFe trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-33°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Nb(1), one Fe(1), and one Fe(2) atom to form distorted OLi2NbFe2 square pyramids that share  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(2)Li2NbFe2 square pyramid, corners with two equivalent O(4)LiNbFe3 square pyramids, corners with three equivalent O(1)Li3NbFe trigonal bipyramids, edges with three equivalent O(5)Li2NbFe3 octahedra, edges with two equivalent O(4)LiNbFe3 square pyramids, and  an edgeedge with one O(1)Li3NbFe trigonal bipyramid. The corner-sharing octahedral tilt angles are 17°. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded to one Li(2), one Nb(1), one Fe(1), and two equivalent Fe(2) atoms to form OLiNbFe3 square pyramids that share corners with two equivalent O(5)Li2NbFe3 octahedra,  a cornercorner with one O(4)LiNbFe3 square pyramid, corners with two equivalent O(2)Li2NbFe2 square pyramids, corners with two equivalent O(1)Li3NbFe trigonal bipyramids, edges with three equivalent O(5)Li2NbFe3 octahedra,  an edgeedge with one O(4)LiNbFe3 square pyramid, edges with two equivalent O(2)Li2NbFe2 square pyramids, and  an edgeedge with one O(1)Li3NbFe trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-83°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Nb(1), one Fe(1), and two equivalent Fe(2) atoms to form distorted OLi2NbFe3 octahedra that share  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(2)Li2NbFe2 square pyramid, corners with two equivalent O(4)LiNbFe3 square pyramids, corners with two equivalent O(1)Li3NbFe trigonal bipyramids,  an edgeedge with one O(5)Li2NbFe3 octahedra, edges with three equivalent O(2)Li2NbFe2 square pyramids, edges with three equivalent O(4)LiNbFe3 square pyramids, and edges with two equivalent O(1)Li3NbFe trigonal bipyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li4Nb2Fe3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   5.435
_cell_length_c   8.107
_cell_angle_alpha   100.901
_cell_angle_beta   108.859
_cell_angle_gamma   101.912
_symmetry_Int_Tables_number   1
_cell_volume   209.351
_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  0.500  1.000  1.000  1.0
  Fe  Fe1  1  0.898  0.675  0.883  1.0
  Fe  Fe2  1  0.102  0.325  0.117  1.0
  Li  Li3  1  0.846  0.254  0.385  1.0
  Li  Li4  1  0.154  0.746  0.615  1.0
  Li  Li5  1  0.338  0.381  0.763  1.0
  Li  Li6  1  0.662  0.619  0.237  1.0
  Nb  Nb7  1  0.750  0.092  0.692  1.0
  Nb  Nb8  1  0.250  0.908  0.309  1.0
  O  O9  1  0.946  0.414  0.662  1.0
  O  O10  1  0.054  0.586  0.338  1.0
  O  O11  1  0.453  0.221  0.224  1.0
  O  O12  1  0.547  0.779  0.776  1.0
  O  O13  1  0.339  0.112  0.556  1.0
  O  O14  1  0.661  0.888  0.444  1.0
  O  O15  1  0.717  0.315  0.920  1.0
  O  O16  1  0.283  0.685  0.080  1.0
  O  O17  1  0.910  0.980  0.177  1.0
  O  O18  1  0.090  0.020  0.823  1.0
[/CIF]
.
The compound described by Li4Nb2Fe3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Nb(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-76°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-90°. Nb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form NbO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 9°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent Nb(1)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-13°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 13°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Nb(1), and one Fe(2) atom to form OLi3NbFe trigonal bipyramids that share corners with two equivalent O(5)Li2NbFe3 octahedra, corners with two equivalent O(4)LiNbFe3 square pyramids, corners with three equivalent O(2)Li2NbFe2 square pyramids, edges with two equivalent O(5)Li2NbFe3 octahedra,  an edgeedge with one O(2)Li2NbFe2 square pyramid,  an edgeedge with one O(4)LiNbFe3 square pyramid, and  an edgeedge with one O(1)Li3NbFe trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-33°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Nb(1), one Fe(1), and one Fe(2) atom to form distorted OLi2NbFe2 square pyramids that share  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(2)Li2NbFe2 square pyramid, corners with two equivalent O(4)LiNbFe3 square pyramids, corners with three equivalent O(1)Li3NbFe trigonal bipyramids, edges with three equivalent O(5)Li2NbFe3 octahedra, edges with two equivalent O(4)LiNbFe3 square pyramids, and  an edgeedge with one O(1)Li3NbFe trigonal bipyramid. The corner-sharing octahedral tilt angles are 17°. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded to one Li(2), one Nb(1), one Fe(1), and two equivalent Fe(2) atoms to form OLiNbFe3 square pyramids that share corners with two equivalent O(5)Li2NbFe3 octahedra,  a cornercorner with one O(4)LiNbFe3 square pyramid, corners with two equivalent O(2)Li2NbFe2 square pyramids, corners with two equivalent O(1)Li3NbFe trigonal bipyramids, edges with three equivalent O(5)Li2NbFe3 octahedra,  an edgeedge with one O(4)LiNbFe3 square pyramid, edges with two equivalent O(2)Li2NbFe2 square pyramids, and  an edgeedge with one O(1)Li3NbFe trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-83°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Nb(1), one Fe(1), and two equivalent Fe(2) atoms to form distorted OLi2NbFe3 octahedra that share  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(2)Li2NbFe2 square pyramid, corners with two equivalent O(4)LiNbFe3 square pyramids, corners with two equivalent O(1)Li3NbFe trigonal bipyramids,  an edgeedge with one O(5)Li2NbFe3 octahedra, edges with three equivalent O(2)Li2NbFe2 square pyramids, edges with three equivalent O(4)LiNbFe3 square pyramids, and edges with two equivalent O(1)Li3NbFe trigonal bipyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li4Nb2Fe3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   5.435
_cell_length_c   8.107
_cell_angle_alpha   100.901
_cell_angle_beta   108.859
_cell_angle_gamma   101.912
_symmetry_Int_Tables_number   1
_cell_volume   209.351
_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  0.500  1.000  1.000  1.0
  Fe  Fe1  1  0.898  0.675  0.883  1.0
  Fe  Fe2  1  0.102  0.325  0.117  1.0
  Li  Li3  1  0.846  0.254  0.385  1.0
  Li  Li4  1  0.154  0.746  0.615  1.0
  Li  Li5  1  0.338  0.381  0.763  1.0
  Li  Li6  1  0.662  0.619  0.237  1.0
  Nb  Nb7  1  0.750  0.092  0.692  1.0
  Nb  Nb8  1  0.250  0.908  0.309  1.0
  O  O9  1  0.946  0.414  0.662  1.0
  O  O10  1  0.054  0.586  0.338  1.0
  O  O11  1  0.453  0.221  0.224  1.0
  O  O12  1  0.547  0.779  0.776  1.0
  O  O13  1  0.339  0.112  0.556  1.0
  O  O14  1  0.661  0.888  0.444  1.0
  O  O15  1  0.717  0.315  0.920  1.0
  O  O16  1  0.283  0.685  0.080  1.0
  O  O17  1  0.910  0.980  0.177  1.0
  O  O18  1  0.090  0.020  0.823  1.0
[/CIF]
.